Ticket #19134: SAPT.out

File SAPT.out, 452.7 KB (added by chimerax-bug-report@…, 2 months ago)

Added by email2trac

Line 
1
2 -----------------------------------------------------------------------
3 Psi4: An Open-Source Ab Initio Electronic Structure Package
4 Psi4 1.8.1 release
5
6 Git: Rev {} zzzzzzz
7
8
9 D. G. A. Smith, L. A. Burns, A. C. Simmonett, R. M. Parrish,
10 M. C. Schieber, R. Galvelis, P. Kraus, H. Kruse, R. Di Remigio,
11 A. Alenaizan, A. M. James, S. Lehtola, J. P. Misiewicz, M. Scheurer,
12 R. A. Shaw, J. B. Schriber, Y. Xie, Z. L. Glick, D. A. Sirianni,
13 J. S. O'Brien, J. M. Waldrop, A. Kumar, E. G. Hohenstein,
14 B. P. Pritchard, B. R. Brooks, H. F. Schaefer III, A. Yu. Sokolov,
15 K. Patkowski, A. E. DePrince III, U. Bozkaya, R. A. King,
16 F. A. Evangelista, J. M. Turney, T. D. Crawford, C. D. Sherrill,
17 J. Chem. Phys. 152(18) 184108 (2020). https://doi.org/10.1063/5.0006002
18
19 Additional Code Authors
20 E. T. Seidl, C. L. Janssen, E. F. Valeev, M. L. Leininger,
21 J. F. Gonthier, R. M. Richard, H. R. McAlexander, M. Saitow, X. Wang,
22 P. Verma, M. H. Lechner, A. Jiang, S. Behnle, A. G. Heide,
23 M. F. Herbst, and D. L. Poole
24
25 Previous Authors, Complete List of Code Contributors,
26 and Citations for Specific Modules
27 https://github.com/psi4/psi4/blob/master/codemeta.json
28 https://github.com/psi4/psi4/graphs/contributors
29 http://psicode.org/psi4manual/master/introduction.html#citing-psifour
30
31 -----------------------------------------------------------------------
32
33
34 Psi4 started on: Saturday, 11 October 2025 09:48AM
35
36 Process ID: 146264
37 Host: ac0111
38 PSIDATADIR: /net/software/testing/software/psi4/1.8.1/share/psi4
39 Memory: 69.8 GiB
40 Threads: 24
41
42 ==> Input File <==
43
44--------------------------------------------------------------------------
45molecule CB7_NNCLCL {
46 0 1
47 N -14.24551572799944 -30.34792785711601 -15.52891840048740
48 N -9.71208325014706 -29.84167850036469 -20.04099903279534
49 N -10.50868607019587 -33.25939722500228 -11.05163342511131
50 N -13.45079237077067 -28.52526275732853 -14.07959998973527
51 N -8.54829729879104 -34.67501980772666 -11.26015095529736
52 N -6.68016498353161 -30.06756977811740 -18.45413484438186
53 N -13.27834365374341 -29.30116476285689 -17.48559102108545
54 N -8.52430663622787 -28.83903225850566 -18.12852209642370
55 N -9.95660773616450 -36.54322626376496 -11.99250432636330
56 N -10.56590312237971 -27.85943556144490 -17.28635805612981
57 N -8.20704223344950 -31.47680506868047 -19.75119040916369
58 N -4.23912316011651 -33.77441237448563 -17.15752419284052
59 N -14.48223300768975 -31.76621821276418 -13.82298310098548
60 N -13.14102162736022 -30.14033356275495 -12.55757336723806
61 N -11.93045341078381 -35.11283894394374 -11.80951764081830
62 N -6.63801903735723 -35.79310592545947 -11.63803334160173
63 N -3.93319626021735 -35.41480129312424 -15.34338968264159
64 N -12.20056460752915 -31.78674434575585 -11.02536775236872
65 N -6.38445529098968 -37.71215808334939 -14.67632370148656
66 N -5.18696869749130 -31.94869583823537 -18.03431448039430
67 N -5.05731954939768 -35.99716271266249 -13.49753743553610
68 N -8.08651525221276 -37.24913345059984 -12.99446954634092
69 N -5.72981715703515 -36.61162558602092 -16.50898841092700
70 N -6.71619050888877 -33.33941562131703 -19.32404296915589
71 N -11.80920762963300 -28.93505986327477 -19.12456257237361
72 N -5.77891551135017 -35.17147551137351 -18.47060846770679
73 N -13.22359309100453 -33.43717127225738 -12.55048251465007
74 N -12.38949813351163 -27.50112672445561 -16.04446286814330
75 C -7.32910810900690 -29.25373038685819 -17.54880173605247
76 C -8.53850494922564 -29.15842276781338 -19.55685729539085
77 C -7.43865672816934 -30.23165860437008 -19.66885322728300
78 C -7.17840445902989 -34.53572016367431 -11.46055042344412
79 C -14.29675162217136 -31.68471955748565 -15.18700001241128
80 C -12.85042763460804 -33.06181166584107 -11.17832222235394
81 C -9.52191422206874 -31.20693319939527 -20.10851907725231
82 C -11.72368545814683 -34.06066588071785 -10.84862007974761
83 C -10.82524375023816 -31.90558299685299 -11.03783518898787
84 C -12.71276153990435 -29.84854763036020 -18.61930002963701
85 C -9.18369970597577 -27.64009838256683 -17.65113410708170
86 C -4.33437246364876 -34.98093101086281 -14.09357083412522
87 C -12.86794864025314 -30.51908113187773 -11.18126921031977
88 C -5.33857473771385 -32.94448786757834 -19.07916520161565
89 C -14.45449414456194 -29.88982635711734 -16.88624879012506
90 C -12.90626009389941 -27.89272704949329 -17.33400312458302
91 C -11.66547252669217 -27.79351028695659 -18.25350581927279
92 C -11.36419473640630 -36.43633311365249 -11.68986119116388
93 C -11.00868199620477 -27.53728647485403 -16.01762573302815
94 C -5.67594038888640 -36.50947241719145 -17.95615705970478
95 C -9.46939608399349 -37.20298840341294 -13.09955061874670
96 C -5.07472398930500 -37.20296597649953 -14.32318832083630
97 C -10.98968661090716 -29.20661366777924 -20.28538703548918
98 C -14.50414376421927 -33.01631195689512 -13.10646636146297
99 C -5.27137123532043 -36.00415003776913 -12.06302791217256
100 C -5.32173538142487 -30.53047306416009 -18.28441591657315
101 C -4.52721502521622 -36.68971546257077 -15.68242437107175
102 C -12.66372944179973 -28.92170535734591 -13.02006777526654
103 C -4.51144978677053 -32.43914891801749 -16.93529033641390
104 C -6.96452892172154 -34.63463459730117 -18.91719578693464
105 C -9.24735992665165 -33.68001739674704 -10.46955733549770
106 C -14.49128581777491 -29.48462656288843 -14.37952523200115
107 C -12.77190022134902 -34.72400240665541 -12.82870169060253
108 C -14.41994564390007 -30.46939866374234 -13.18671088580307
109 C -8.90023415536584 -36.09077728285840 -11.12062258214420
110 C -4.68665394806568 -34.21792240570876 -18.46637150291828
111 C -7.56620758437613 -32.67048602165868 -20.27688383398137
112 C -6.80197784275568 -37.23676534082406 -15.90279157745247
113 C -13.18197538376921 -27.32588606252204 -14.84589181905102
114 C -3.32907046774124 -34.52097155768647 -16.31089424459087
115 C -7.33870779858671 -38.24788128102331 -13.73558001618883
116 C -7.65230894796039 -36.81680983490905 -11.66670710478282
117 O -6.91406911880705 -28.93429971503627 -16.43642977031283
118 O -10.02391888398032 -30.97288819314936 -11.01004524837536
119 O -10.36195015102054 -32.03750264271468 -20.45404380172413
120 O -6.55012083466399 -33.47857997070448 -11.44667591227718
121 O -4.04437043616910 -33.90149123002359 -13.57768662874324
122 O -4.17479122875019 -31.78722067312137 -15.94617789468901
123 O -12.99179659289502 -30.93889670098148 -19.11947103048589
124 O -14.23022216521751 -32.64000919382792 -15.96705068343154
125 O -13.09227090896038 -35.40662308717680 -13.80319814342774
126 O -7.92381590736901 -37.38813648686712 -16.38839052764955
127 O -10.14317697129746 -37.69318940043424 -14.00562915443211
128 O -8.04521654371803 -35.22343634973504 -18.99692221108581
129 O -11.72315372812670 -28.29253092220087 -12.53750986907205
130 O -10.29935958597236 -27.28765434795825 -15.04359178184386
131 H -8.60338371094446 -32.79405700176937 -10.40868813881810
132 H -9.42953866509166 -34.08235030393137 -9.45529335735937
133 H -8.34960719440130 -28.24993068991823 -20.15108501752817
134 H -6.78711962408094 -30.12271764125352 -20.55152963741047
135 H -15.46142063087532 -28.97490689797454 -14.49034894282617
136 H -13.72767010032273 -33.13455384323698 -10.51615608881878
137 H -15.23961715307196 -30.35746139577197 -12.45930002034951
138 H -11.75502767928728 -34.45853788607479 -9.82143311113047
139 H -4.86784187725347 -32.60040337211936 -20.01433063698590
140 H -13.74304421130762 -27.23994268548030 -17.62796567457629
141 H -11.60842984843142 -26.86372684708552 -18.84110818681426
142 H -9.13700528138713 -36.32539583527035 -10.06998975269973
143 H -4.46568756390517 -37.99328228460776 -13.85847283434954
144 H -3.83404757284426 -34.61313278088253 -19.04096944018183
145 H -9.12823091073446 -26.86072662205241 -18.43193144854185
146 H -3.78457589629997 -37.35464226105282 -16.14997176667571
147 H -12.21840536395561 -29.74794463273503 -10.74955750950870
148 H -13.81557162730009 -30.56328371488828 -10.62173693262884
149 H -14.73758713440277 -30.75415365472032 -17.50025381959060
150 H -15.27390438714862 -29.15087588370277 -16.88461702989180
151 H -7.33924615020743 -37.68843802667675 -11.07005200609975
152 H -11.52286498733583 -36.77976598491362 -10.65550710025784
153 H -11.90121884196173 -37.09378054141673 -12.38459511179364
154 H -4.72575425802954 -36.94616095650564 -18.30286905772798
155 H -6.51675360625375 -37.08353009530718 -18.36642220980566
156 H -10.80385414355224 -28.25163219438703 -20.79729750331364
157 H -11.56053593713759 -29.87130136671524 -20.94549269891163
158 H -15.23592124394287 -32.92481739965908 -12.28719340801429
159 H -14.83233829891832 -33.79402742285986 -13.80676477617630
160 H -4.93723640493045 -36.97040549046052 -11.65533117715467
161 H -4.66537756018578 -35.19481601762119 -11.63622543456379
162 H -6.95862179877227 -32.40034126258181 -21.15980565009532
163 H -8.36011647964333 -33.36673629745839 -20.57304194914213
164 H -4.89356253853576 -30.00392128954929 -17.42236511342792
165 H -4.75828728589271 -30.27388440740287 -19.19763400503628
166 H -14.14144532949173 -26.87551306078883 -15.13614494667297
167 H -12.63901405437889 -26.63751641940094 -14.18626966866743
168 H -2.66850147019085 -35.11734056617889 -16.95752213245786
169 H -2.73111389364193 -33.79455090973205 -15.74595679414632
170 H -6.79568069974103 -38.89500484898663 -13.03028301061719
171 H -8.06074493531083 -38.84875756473333 -14.30224234028241
172 H -8.65732191860667 -27.30199683250702 -16.74937191936131
173 --
174 1 1
175 N -12.00209268621203 -34.65165602603160 -16.90789271217254
176 N -9.80659396837724 -33.01240008541743 -16.04961879693751
177 C -9.63959938696966 -30.87394490401829 -14.77901819600600
178 C -11.56496137545605 -33.45352913099841 -17.69040227161895
179 C -10.96966946605227 -32.44315315769772 -16.73323453918817
180 C -9.10038082388808 -32.09349457248172 -15.23309328669362
181 C -7.78517065385316 -32.40029865769654 -14.82293371058220
182 C -7.63035537076139 -30.38412420582710 -13.54868332042711
183 C -10.23881997444241 -34.19791271314919 -15.27531543930736
184 C -8.91582402556598 -30.01920713427794 -13.94358112340410
185 C -7.03914571783901 -31.56834539234153 -13.99011191272180
186 C -10.84448777579739 -35.25038180923563 -16.17439981850990
187 Cl -6.71953620310072 -29.32690091749183 -12.48431830343796
188 Cl -7.03730704892049 -33.88261412751412 -15.38053885315632
189 H -10.65834012691904 -31.55134185356208 -17.29661699841063
190 H -11.75426040152570 -32.14737294152351 -16.00959167870944
191 H -12.42713418436595 -35.34779349212660 -17.53283622416203
192 H -12.73040272047528 -34.35962940186762 -16.23086878655538
193 H -10.65430676086671 -30.58193396298773 -15.06425833545454
194 H -9.36650819993072 -29.09145544681473 -13.59119182334642
195 H -6.02718321702667 -31.84853691256723 -13.69784253325641
196 H -10.98037155636846 -33.88746434418268 -14.51373680219141
197 H -9.38215239803724 -34.64356559478313 -14.75500549779017
198 H -10.83053851290442 -33.80403661777157 -18.42919230050309
199 H -12.44154079564717 -33.03599415813096 -18.19716341530511
200 H -10.12843348066836 -35.59922414033937 -16.93196655704747
201 H -11.21086093959787 -36.09817082755563 -15.58439451936434
202
203 units angstrom
204 no_reorient
205 symmetry c1
206}
207
208set basis cc-pvtz
209
210energy('sapt0-ct')
211--------------------------------------------------------------------------
212
213Scratch directory: /net/afscra/people/plgdarincond/slurm_jobdir/18111877/
214
215 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
216 // Dimer HF //
217 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
218
219 => Libint2 <=
220
221 Primary basis highest AM E, G, H: 5, 4, 3
222 Auxiliary basis highest AM E, G, H: 6, 5, 4
223 Onebody basis highest AM E, G, H: 6, 5, 4
224 Solid Harmonics ordering: gaussian
225
226*** tstart() called on ac0111
227*** at Sat Oct 11 09:48:44 2025
228
229 => Loading Basis Set <=
230
231 Name: CC-PVTZ
232 Role: ORBITAL
233 Keyword: BASIS
234 atoms 1-28, 127-128 entry N line 224 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
235 atoms 29-70, 129-138 entry C line 186 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
236 atoms 71-84 entry O line 262 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
237 atoms 85-126, 141-153 entry H line 23 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
238 atoms 139-140 entry Cl line 847 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
239
240
241 ---------------------------------------------------------
242 SCF
243 by Justin Turney, Rob Parrish, Andy Simmonett
244 and Daniel G. A. Smith
245 RHF Reference
246 24 Threads, 71525 MiB Core
247 ---------------------------------------------------------
248
249 ==> Geometry <==
250
251 Molecular point group: c1
252 Full point group: C1
253
254 Geometry (in Angstrom), charge = 1, multiplicity = 1:
255
256 Center X Y Z Mass
257 ------------ ----------------- ----------------- ----------------- -----------------
258 N -5.007390768128 2.188446201888 -0.240442583466 14.003074004430
259 N -0.473958290276 2.694695558639 -4.752523215774 14.003074004430
260 N -1.270561110325 -0.723023165998 4.236842391910 14.003074004430
261 N -4.212667410899 4.011111301675 1.208875827286 14.003074004430
262 N 0.689827661080 -2.138645748723 4.028324861724 14.003074004430
263 N 2.557959976340 2.468804280887 -3.165659027361 14.003074004430
264 N -4.040218693872 3.235209296147 -2.197115204064 14.003074004430
265 N 0.713818323643 3.697341800498 -2.840046279402 14.003074004430
266 N -0.718482776293 -4.006852204761 3.295971490658 14.003074004430
267 N -1.327778162508 4.676938497559 -1.997882239108 14.003074004430
268 N 1.031082726422 1.059568990323 -4.462714592142 14.003074004430
269 N 4.999001799755 -1.238038315482 -1.869048375819 14.003074004430
270 N -5.244108047818 0.770155846240 1.465492716036 14.003074004430
271 N -3.902896667489 2.396040496249 2.730902449783 14.003074004430
272 N -2.692328450913 -2.576464884940 3.478958176203 14.003074004430
273 N 2.600105922514 -3.256731866456 3.650442475420 14.003074004430
274 N 5.304928699654 -2.878427234120 -0.054913865620 14.003074004430
275 N -2.962439647658 0.749629713248 4.263108064653 14.003074004430
276 N 2.853669668882 -5.175784024345 0.612152115535 14.003074004430
277 N 4.051156262380 0.587678220769 -2.745838663373 14.003074004430
278 N 4.180805410474 -3.460788653659 1.790938381485 14.003074004430
279 N 1.151609707659 -4.712759391596 2.294006270680 14.003074004430
280 N 3.508307802836 -4.075251527017 -1.220512593906 14.003074004430
281 N 2.521934450983 -0.803041562313 -4.035567152135 14.003074004430
282 N -2.571082669762 3.601314195729 -3.836086755352 14.003074004430
283 N 3.459209448521 -2.635101452370 -3.182132650685 14.003074004430
284 N -3.985468131133 -0.900797213253 2.737993302371 14.003074004430
285 N -3.151373173640 5.035247334548 -0.755987051122 14.003074004430
286 C 1.909016850864 3.282643672146 -2.260325919031 12.000000000000
287 C 0.699620010646 3.377951291191 -4.268381478370 12.000000000000
288 C 1.799468231702 2.304715454634 -4.380377410262 12.000000000000
289 C 2.059720500841 -1.999346104670 3.827925393577 12.000000000000
290 C -5.058626662300 0.851654501518 0.101475804610 12.000000000000
291 C -3.612302674737 -0.525437606837 4.110153594667 12.000000000000
292 C -0.283789262197 1.329440859609 -4.820043260231 12.000000000000
293 C -2.485560498276 -1.524291821714 4.439855737274 12.000000000000
294 C -1.587118790367 0.630791062151 4.250640628033 12.000000000000
295 C -3.474636580033 2.687826428644 -3.330824212616 12.000000000000
296 C 0.054425253896 4.896275676437 -2.362658290060 12.000000000000
297 C 4.903752496223 -2.444556951859 1.194904982896 12.000000000000
298 C -3.629823680382 2.017292927126 4.107206606702 12.000000000000
299 C 3.899550222157 -0.408113808574 -3.790689384594 12.000000000000
300 C -5.216369184691 2.646547701887 -1.597772973104 12.000000000000
301 C -3.668135134028 4.643647009511 -2.045527307562 12.000000000000
302 C -2.427347566821 4.742863772047 -2.965030002251 12.000000000000
303 C -2.126069776535 -3.899959054649 3.598614625857 12.000000000000
304 C -1.770557036333 4.999087584150 -0.729149916007 12.000000000000
305 C 3.562184570985 -3.973098358188 -2.667681242683 12.000000000000
306 C -0.231271124122 -4.666614344409 2.188925198275 12.000000000000
307 C 4.163400970566 -4.666591917496 0.965287496185 12.000000000000
308 C -1.751561651036 3.329760391225 -4.996911218468 12.000000000000
309 C -5.266018804348 -0.479937897891 2.182009455558 12.000000000000
310 C 3.966753724551 -3.467775978765 3.225447904849 12.000000000000
311 C 3.916389578446 2.005900994844 -2.995940099552 12.000000000000
312 C 4.710909934655 -4.153341403567 -0.393948554050 12.000000000000
313 C -3.425604481928 3.614668701658 2.268408041755 12.000000000000
314 C 4.726675173101 0.097225140986 -1.646814519393 12.000000000000
315 C 2.273596038150 -2.098260538297 -3.628719969913 12.000000000000
316 C -0.009234966780 -1.143643337743 4.818918481524 12.000000000000
317 C -5.253160857904 3.051747496115 0.908950585020 12.000000000000
318 C -3.533775261478 -2.187628347651 2.459774126419 12.000000000000
319 C -5.181820684029 2.066975395262 2.101764931218 12.000000000000
320 C 0.337890804505 -3.554403223854 4.167853234877 12.000000000000
321 C 4.551471011806 -1.681548346705 -3.177895685897 12.000000000000
322 C 1.671917375495 -0.134111962655 -4.988408016960 12.000000000000
323 C 2.436147117116 -4.700391281820 -0.614315760431 12.000000000000
324 C -3.943850423898 5.210487996482 0.442583997970 12.000000000000
325 C 5.909054492130 -1.984597498683 -1.022418427570 12.000000000000
326 C 1.899417161285 -5.711507222019 1.552895800832 12.000000000000
327 C 1.585816011911 -4.280435775905 3.621768712239 12.000000000000
328 O 2.324055841064 3.602074343968 -1.147953953292 15.994914619570
329 O -0.785793924109 1.563485865855 4.278430568646 15.994914619570
330 O -1.123825191149 0.498871416289 -5.165567984703 15.994914619570
331 O 2.688004125207 -0.942205911701 3.841799904744 15.994914619570
332 O 5.193754523702 -1.365117171020 1.710789188278 15.994914619570
333 O 5.063333731121 0.749153385883 -0.657702077668 15.994914619570
334 O -3.753671633024 1.597477358022 -3.830995213465 15.994914619570
335 O -4.992097205346 -0.103635134824 -0.678574866410 15.994914619570
336 O -3.854145949089 -2.870249028173 1.485277673594 15.994914619570
337 O 1.314309052502 -4.851762427863 -1.099914710628 15.994914619570
338 O -0.905052011426 -5.156815341430 1.282846662589 15.994914619570
339 O 1.192908416153 -2.687062290731 -3.708446394064 15.994914619570
340 O -2.485028768255 4.243843136803 2.750965947949 15.994914619570
341 O -1.061234626101 5.248719711046 0.244884035177 15.994914619570
342 H 0.634741248927 -0.257682942765 4.879787678203 1.007825032230
343 H -0.191413705220 -1.545976244927 5.833182459662 1.007825032230
344 H 0.888517765470 4.286443369086 -4.862609200507 1.007825032230
345 H 2.451005335790 2.413656417750 -5.263053820389 1.007825032230
346 H -6.223295671004 3.561467161029 0.798126874195 1.007825032230
347 H -4.489545140451 -0.598179784233 4.772319728203 1.007825032230
348 H -6.001492193201 2.178912663232 2.829175796672 1.007825032230
349 H -2.516902719416 -1.922163827071 5.467042705891 1.007825032230
350 H 4.370283082618 -0.064029313115 -4.725854819965 1.007825032230
351 H -4.504919251436 5.296431373524 -2.339489857555 1.007825032230
352 H -2.370304888560 5.672647211918 -3.552632369793 1.007825032230
353 H 0.101119678484 -3.789021776266 5.218486064322 1.007825032230
354 H 4.772437395966 -5.456908225604 1.430002982672 1.007825032230
355 H 5.404077387027 -2.076758721879 -3.752493623161 1.007825032230
356 H 0.109894049137 5.675647436952 -3.143455631521 1.007825032230
357 H 5.453549063571 -4.818268202049 -0.861495949654 1.007825032230
358 H -2.980280404084 2.788429426269 4.538918307513 1.007825032230
359 H -4.577446667429 1.973090344116 4.666738884392 1.007825032230
360 H -5.499462174531 1.782220404284 -2.211778002569 1.007825032230
361 H -6.035779427277 3.385498175301 -1.596141212870 1.007825032230
362 H 1.898878809664 -5.152063967673 4.218423810922 1.007825032230
363 H -2.284740027465 -4.243391925910 4.632968716763 1.007825032230
364 H -2.663093882090 -4.557406482413 2.903880705228 1.007825032230
365 H 4.512370701842 -4.409786897502 -3.014393240707 1.007825032230
366 H 2.721371353618 -4.547156036303 -3.077946392784 1.007825032230
367 H -1.565729183681 4.284741864617 -5.508821686292 1.007825032230
368 H -2.322410977266 2.665072692289 -5.657016881890 1.007825032230
369 H -5.997796284072 -0.388443340655 3.001282409007 1.007825032230
370 H -5.594213339047 -1.257653363856 1.481711040845 1.007825032230
371 H 4.300888554941 -4.434031431457 3.633144639867 1.007825032230
372 H 4.572747399686 -2.658441958617 3.652250382458 1.007825032230
373 H 2.279503161099 0.136032796422 -5.871329833074 1.007825032230
374 H 0.878008480228 -0.830362238454 -5.284566132121 1.007825032230
375 H 4.344562421336 2.532452769455 -2.133889296407 1.007825032230
376 H 4.479837673979 2.262489651601 -3.909158188015 1.007825032230
377 H -4.903320369620 5.660860998215 0.152330870348 1.007825032230
378 H -3.400889094508 5.898857639603 1.102206148354 1.007825032230
379 H 6.569623489680 -2.580966507175 -1.669046315437 1.007825032230
380 H 6.507011066229 -1.258176850728 -0.457480977125 1.007825032230
381 H 2.442444260130 -6.358630789983 2.258192806404 1.007825032230
382 H 1.177380024560 -6.312383505729 0.986233476739 1.007825032230
383 H 0.580803041265 5.234377226497 -1.460896102340 1.007825032230
384 N -2.763967726341 -2.115281967028 -1.619416895151 14.003074004430
385 N -0.568469008506 -0.476026026414 -0.761142979916 14.003074004430
386 C -0.401474427098 1.662429154986 0.509457621015 12.000000000000
387 C -2.326836415585 -0.917155071994 -2.401926454598 12.000000000000
388 C -1.731544506181 0.093220901306 -1.444758722167 12.000000000000
389 C 0.137744135983 0.442879486522 0.055382530328 12.000000000000
390 C 1.452954306018 0.136075401307 0.465542106439 12.000000000000
391 C 1.607769589110 2.152249853177 1.739792496594 12.000000000000
392 C -1.000695014571 -1.661538654145 0.013160377714 12.000000000000
393 C 0.322300934305 2.517166924726 1.344894693617 12.000000000000
394 C 2.198979242032 0.968028666662 1.298363904300 12.000000000000
395 C -1.606362815926 -2.714007750232 -0.885924001489 12.000000000000
396 Cl 2.518588756771 3.209473141512 2.804157513583 34.968852682000
397 Cl 2.200817910951 -1.346240068510 -0.092063036135 34.968852682000
398 H -1.420215167048 0.985032205442 -2.008141181389 1.007825032230
399 H -2.516135441654 0.389001117480 -0.721115861688 1.007825032230
400 H -3.189009224495 -2.811419433123 -2.244360407141 1.007825032230
401 H -3.492277760604 -1.823255342864 -0.942392969534 1.007825032230
402 H -1.416181800995 1.954440096016 0.224217481567 1.007825032230
403 H -0.128383240059 3.444918612189 1.697283993675 1.007825032230
404 H 3.210941742845 0.687837146437 1.590633283765 1.007825032230
405 H -1.742246596497 -1.351090285179 0.774739014830 1.007825032230
406 H -0.144027438166 -2.107191535779 0.533470319231 1.007825032230
407 H -1.592413553033 -1.267662558768 -3.140716483482 1.007825032230
408 H -3.203415835776 -0.499620099127 -2.908687598284 1.007825032230
409 H -0.890308520797 -3.062850081335 -1.643490740026 1.007825032230
410 H -1.972735979727 -3.561796768552 -0.295918702343 1.007825032230
411
412 Running in c1 symmetry.
413
414 Rotational constants: A = 0.00089 B = 0.00071 C = 0.00054 [cm^-1]
415 Rotational constants: A = 26.78642 B = 21.25616 C = 16.15042 [MHz]
416 Nuclear repulsion = 24530.255449315813166
417
418 Charge = 1
419 Multiplicity = 1
420 Electrons = 722
421 Nalpha = 361
422 Nbeta = 361
423
424 ==> Algorithm <==
425
426 SCF Algorithm Type is DF.
427 DIIS enabled.
428 MOM disabled.
429 Fractional occupation disabled.
430 Guess Type is SAD.
431 Energy threshold = 1.00e-08
432 Density threshold = 1.00e-08
433 Integral threshold = 1.00e-12
434
435 ==> Primary Basis <==
436
437 Basis Set: CC-PVTZ
438 Blend: CC-PVTZ
439 Number of shells: 1314
440 Number of basis functions: 3718
441 Number of Cartesian functions: 4263
442 Spherical Harmonics?: true
443 Max angular momentum: 3
444
445 => Loading Basis Set <=
446
447 Name: (CC-PVTZ AUX)
448 Role: JKFIT
449 Keyword: DF_BASIS_SCF
450 atoms 1-28, 127-128 entry N line 177 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
451 atoms 29-70, 129-138 entry C line 125 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
452 atoms 71-84 entry O line 229 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
453 atoms 85-126, 141-153 entry H line 51 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
454 atoms 139-140 entry Cl line 689 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
455
456 ==> Integral Setup <==
457
458 ==> DiskDFJK: Density-Fitted J/K Matrices <==
459
460 J tasked: Yes
461 K tasked: Yes
462 wK tasked: No
463 OpenMP threads: 24
464 Integrals threads: 24
465 Memory [MiB]: 53644
466 Algorithm: Disk
467 Integral Cache: SAVE
468 Schwarz Cutoff: 1E-12
469 Fitting Condition: 1E-10
470
471 => Auxiliary Basis Set <=
472
473 Basis Set: (CC-PVTZ AUX)
474 Blend: CC-PVTZ-JKFIT
475 Number of shells: 3024
476 Number of basis functions: 9476
477 Number of Cartesian functions: 11431
478 Spherical Harmonics?: true
479 Max angular momentum: 4
480
481 Minimum eigenvalue in the overlap matrix is 1.9560472340E-05.
482 Reciprocal condition number of the overlap matrix is 2.0538733882E-06.
483 Using symmetric orthogonalization.
484
485 ==> Pre-Iterations <==
486
487 SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF (no occupation information).
488
489 -------------------------
490 Irrep Nso Nmo
491 -------------------------
492 A 3718 3718
493 -------------------------
494 Total 3718 3718
495 -------------------------
496
497 ==> Iterations <==
498
499 Total Energy Delta E RMS |[F,P]|
500
501 @DF-RHF iter SAD: -5610.86334464230640 -5.61086e+03 0.00000e+00
502 @DF-RHF iter 1: -5601.24394120403031 9.61940e+00 5.78690e-04 DIIS/ADIIS
503 @DF-RHF iter 2: -5602.66956412867148 -1.42562e+00 4.05271e-04 DIIS/ADIIS
504 @DF-RHF iter 3: -5603.46044847829216 -7.90884e-01 8.54487e-05 DIIS
505 @DF-RHF iter 4: -5603.51181853772232 -5.13701e-02 3.46767e-05 DIIS
506 @DF-RHF iter 5: -5603.52001773918073 -8.19920e-03 7.59289e-06 DIIS
507 @DF-RHF iter 6: -5603.52074458157495 -7.26842e-04 3.42342e-06 DIIS
508 @DF-RHF iter 7: -5603.52091017663224 -1.65595e-04 1.43184e-06 DIIS
509 @DF-RHF iter 8: -5603.52094169795419 -3.15213e-05 5.97627e-07 DIIS
510 @DF-RHF iter 9: -5603.52094967164339 -7.97369e-06 2.70431e-07 DIIS
511 @DF-RHF iter 10: -5603.52095133305102 -1.66141e-06 1.19428e-07 DIIS
512 @DF-RHF iter 11: -5603.52095180060860 -4.67558e-07 5.41022e-08 DIIS
513 @DF-RHF iter 12: -5603.52095188407930 -8.34707e-08 2.72134e-08 DIIS
514 @DF-RHF iter 13: -5603.52095190431737 -2.02381e-08 1.04172e-08 DIIS
515 @DF-RHF iter 14: -5603.52095190724776 -2.93039e-09 5.09261e-09 DIIS
516 Energy and wave function converged.
517
518
519 ==> Post-Iterations <==
520
521 Orbital Energies [Eh]
522 ---------------------
523
524 Doubly Occupied:
525
526 1A -104.873719 2A -104.843571 3A -20.622828
527 4A -20.617655 5A -20.604243 6A -20.597463
528 7A -20.595345 8A -20.592323 9A -20.589559
529 10A -20.588399 11A -20.584875 12A -20.583744
530 13A -20.581678 14A -20.580802 15A -20.571465
531 16A -20.571051 17A -15.753136 18A -15.695724
532 19A -15.693655 20A -15.691225 21A -15.690355
533 22A -15.685150 23A -15.684091 24A -15.683662
534 25A -15.680360 26A -15.680177 27A -15.679939
535 28A -15.678725 29A -15.678626 30A -15.673499
536 31A -15.673367 32A -15.673306 33A -15.669848
537 34A -15.668644 35A -15.668419 36A -15.668416
538 37A -15.666944 38A -15.665718 39A -15.664514
539 40A -15.664048 41A -15.664001 42A -15.660821
540 43A -15.660724 44A -15.659169 45A -15.658768
541 46A -15.627801 47A -11.488575 48A -11.482756
542 49A -11.471621 50A -11.464901 51A -11.461998
543 52A -11.461788 53A -11.458320 54A -11.456374
544 55A -11.452402 56A -11.450710 57A -11.450199
545 58A -11.449879 59A -11.442561 60A -11.441526
546 61A -11.434317 62A -11.433100 63A -11.428691
547 64A -11.428060 65A -11.426288 66A -11.426126
548 67A -11.418992 68A -11.416536 69A -11.416163
549 70A -11.414531 71A -11.413937 72A -11.412886
550 73A -11.412435 74A -11.411819 75A -11.411677
551 76A -11.410951 77A -11.408249 78A -11.406104
552 79A -11.405371 80A -11.398603 81A -11.393308
553 82A -11.389573 83A -11.389476 84A -11.388424
554 85A -11.388357 86A -11.386887 87A -11.386170
555 88A -11.385358 89A -11.344887 90A -11.342134
556 91A -11.331843 92A -11.330892 93A -11.328134
557 94A -11.325046 95A -11.318033 96A -11.278501
558 97A -11.277208 98A -11.270774 99A -10.599313
559 100A -10.568069 101A -8.066158 102A -8.064356
560 103A -8.064327 104A -8.034951 105A -8.033056
561 106A -8.033030 107A -1.511791 108A -1.503714
562 109A -1.498253 110A -1.490620 111A -1.487154
563 112A -1.481965 113A -1.480665 114A -1.474494
564 115A -1.472791 116A -1.471333 117A -1.464491
565 118A -1.462450 119A -1.455847 120A -1.449780
566 121A -1.418339 122A -1.411782 123A -1.407045
567 124A -1.399656 125A -1.397617 126A -1.393229
568 127A -1.389967 128A -1.385372 129A -1.374887
569 130A -1.366824 131A -1.363962 132A -1.358472
570 133A -1.352063 134A -1.347229 135A -1.343924
571 136A -1.343677 137A -1.342204 138A -1.334242
572 139A -1.333676 140A -1.317458 141A -1.314630
573 142A -1.313123 143A -1.312688 144A -1.311734
574 145A -1.295056 146A -1.284910 147A -1.284577
575 148A -1.254834 149A -1.251007 150A -1.231525
576 151A -1.214990 152A -1.170485 153A -1.158604
577 154A -1.137762 155A -1.134491 156A -1.121217
578 157A -1.117250 158A -1.105029 159A -1.103462
579 160A -1.095957 161A -1.086300 162A -1.076473
580 163A -1.071813 164A -1.070528 165A -1.065667
581 166A -1.058457 167A -1.056791 168A -1.053563
582 169A -1.048452 170A -1.046209 171A -1.039041
583 172A -1.034236 173A -1.033610 174A -1.018102
584 175A -1.017077 176A -0.983083 177A -0.973940
585 178A -0.970819 179A -0.967666 180A -0.963221
586 181A -0.960035 182A -0.956494 183A -0.954595
587 184A -0.947763 185A -0.945589 186A -0.942177
588 187A -0.903256 188A -0.901695 189A -0.897169
589 190A -0.883041 191A -0.880448 192A -0.876284
590 193A -0.871356 194A -0.868112 195A -0.866376
591 196A -0.864941 197A -0.862487 198A -0.859819
592 199A -0.858768 200A -0.855535 201A -0.853790
593 202A -0.850302 203A -0.838771 204A -0.831426
594 205A -0.830628 206A -0.829063 207A -0.828250
595 208A -0.824320 209A -0.820222 210A -0.814452
596 211A -0.813539 212A -0.809203 213A -0.807875
597 214A -0.799752 215A -0.798357 216A -0.793326
598 217A -0.791249 218A -0.789354 219A -0.786640
599 220A -0.784509 221A -0.783103 222A -0.781783
600 223A -0.777194 224A -0.775930 225A -0.774766
601 226A -0.768182 227A -0.767475 228A -0.761823
602 229A -0.751911 230A -0.750656 231A -0.742378
603 232A -0.739976 233A -0.738249 234A -0.734198
604 235A -0.731740 236A -0.730669 237A -0.729672
605 238A -0.728413 239A -0.724387 240A -0.724078
606 241A -0.722512 242A -0.719907 243A -0.719538
607 244A -0.717789 245A -0.715806 246A -0.714783
608 247A -0.712676 248A -0.711349 249A -0.709583
609 250A -0.708901 251A -0.703996 252A -0.703078
610 253A -0.702191 254A -0.699155 255A -0.697493
611 256A -0.696359 257A -0.695517 258A -0.694929
612 259A -0.692643 260A -0.690216 261A -0.688367
613 262A -0.685856 263A -0.684166 264A -0.682620
614 265A -0.680797 266A -0.679292 267A -0.674632
615 268A -0.672947 269A -0.671592 270A -0.670654
616 271A -0.669891 272A -0.667708 273A -0.666789
617 274A -0.664161 275A -0.659441 276A -0.659100
618 277A -0.656472 278A -0.655571 279A -0.651496
619 280A -0.650584 281A -0.649726 282A -0.647391
620 283A -0.646076 284A -0.643720 285A -0.643012
621 286A -0.640690 287A -0.637187 288A -0.634450
622 289A -0.631306 290A -0.626765 291A -0.625202
623 292A -0.624950 293A -0.621820 294A -0.617728
624 295A -0.616847 296A -0.614095 297A -0.612531
625 298A -0.611058 299A -0.609038 300A -0.606561
626 301A -0.606168 302A -0.605092 303A -0.601219
627 304A -0.599195 305A -0.596409 306A -0.593103
628 307A -0.585760 308A -0.581320 309A -0.571688
629 310A -0.565862 311A -0.564957 312A -0.552264
630 313A -0.546725 314A -0.545284 315A -0.544587
631 316A -0.542159 317A -0.532966 318A -0.530246
632 319A -0.527241 320A -0.524266 321A -0.521029
633 322A -0.520390 323A -0.519653 324A -0.517035
634 325A -0.515118 326A -0.513123 327A -0.510059
635 328A -0.508152 329A -0.505295 330A -0.502122
636 331A -0.498728 332A -0.496815 333A -0.494425
637 334A -0.493430 335A -0.492365 336A -0.490478
638 337A -0.489984 338A -0.487711 339A -0.487369
639 340A -0.484777 341A -0.483492 342A -0.483272
640 343A -0.482310 344A -0.479851 345A -0.478696
641 346A -0.478071 347A -0.476199 348A -0.475490
642 349A -0.473665 350A -0.472731 351A -0.472430
643 352A -0.469081 353A -0.466848 354A -0.466152
644 355A -0.463010 356A -0.459635 357A -0.458774
645 358A -0.456676 359A -0.443360 360A -0.368033
646 361A -0.340661
647
648 Virtual:
649
650 362A 0.028715 363A 0.035000 364A 0.039419
651 365A 0.044055 366A 0.047169 367A 0.053923
652 368A 0.055559 369A 0.058240 370A 0.065010
653 371A 0.068207 372A 0.078125 373A 0.081019
654 374A 0.082541 375A 0.084554 376A 0.087534
655 377A 0.089790 378A 0.091378 379A 0.097254
656 380A 0.098219 381A 0.101725 382A 0.103404
657 383A 0.105206 384A 0.106837 385A 0.108385
658 386A 0.111211 387A 0.112657 388A 0.114950
659 389A 0.117651 390A 0.119023 391A 0.121133
660 392A 0.123703 393A 0.125935 394A 0.127228
661 395A 0.128901 396A 0.131372 397A 0.132807
662 398A 0.135791 399A 0.136598 400A 0.137621
663 401A 0.140367 402A 0.140764 403A 0.142072
664 404A 0.143615 405A 0.145195 406A 0.146122
665 407A 0.146802 408A 0.147834 409A 0.150466
666 410A 0.151174 411A 0.152684 412A 0.153946
667 413A 0.155818 414A 0.157844 415A 0.160049
668 416A 0.160236 417A 0.161662 418A 0.162967
669 419A 0.163239 420A 0.166361 421A 0.169006
670 422A 0.170247 423A 0.171497 424A 0.173447
671 425A 0.174449 426A 0.176618 427A 0.177054
672 428A 0.179255 429A 0.181089 430A 0.182265
673 431A 0.185126 432A 0.186921 433A 0.187765
674 434A 0.190097 435A 0.192641 436A 0.194020
675 437A 0.195499 438A 0.197863 439A 0.198794
676 440A 0.199695 441A 0.203005 442A 0.204335
677 443A 0.208304 444A 0.209166 445A 0.209606
678 446A 0.212259 447A 0.213888 448A 0.219234
679 449A 0.221571 450A 0.223815 451A 0.225943
680 452A 0.228475 453A 0.230478 454A 0.231888
681 455A 0.233892 456A 0.236018 457A 0.237602
682 458A 0.241089 459A 0.242671 460A 0.244567
683 461A 0.245898 462A 0.247494 463A 0.249349
684 464A 0.252834 465A 0.254870 466A 0.257092
685 467A 0.258867 468A 0.259864 469A 0.261641
686 470A 0.262516 471A 0.264549 472A 0.268676
687 473A 0.270152 474A 0.271031 475A 0.272127
688 476A 0.273740 477A 0.276362 478A 0.277382
689 479A 0.279348 480A 0.281514 481A 0.281805
690 482A 0.283801 483A 0.284908 484A 0.285733
691 485A 0.287690 486A 0.291270 487A 0.292080
692 488A 0.293441 489A 0.293760 490A 0.296668
693 491A 0.299319 492A 0.302442 493A 0.306645
694 494A 0.307286 495A 0.311022 496A 0.312197
695 497A 0.316410 498A 0.317922 499A 0.320413
696 500A 0.322032 501A 0.322882 502A 0.325781
697 503A 0.327979 504A 0.330551 505A 0.332033
698 506A 0.334005 507A 0.336518 508A 0.338835
699 509A 0.339722 510A 0.341010 511A 0.342438
700 512A 0.343293 513A 0.346123 514A 0.347735
701 515A 0.349521 516A 0.350913 517A 0.351666
702 518A 0.352577 519A 0.354293 520A 0.356670
703 521A 0.359308 522A 0.361562 523A 0.363456
704 524A 0.364987 525A 0.365676 526A 0.369008
705 527A 0.371583 528A 0.373801 529A 0.377158
706 530A 0.379290 531A 0.381016 532A 0.383401
707 533A 0.383964 534A 0.386185 535A 0.388964
708 536A 0.390179 537A 0.391427 538A 0.392503
709 539A 0.395076 540A 0.397391 541A 0.397925
710 542A 0.398516 543A 0.401037 544A 0.403096
711 545A 0.404350 546A 0.406031 547A 0.406601
712 548A 0.407987 549A 0.408923 550A 0.410248
713 551A 0.411559 552A 0.413009 553A 0.414477
714 554A 0.415425 555A 0.417279 556A 0.420097
715 557A 0.421617 558A 0.421783 559A 0.423939
716 560A 0.424644 561A 0.425159 562A 0.428134
717 563A 0.431890 564A 0.432343 565A 0.433186
718 566A 0.433666 567A 0.436899 568A 0.438325
719 569A 0.438760 570A 0.442909 571A 0.444002
720 572A 0.445101 573A 0.445878 574A 0.447514
721 575A 0.448041 576A 0.450816 577A 0.452944
722 578A 0.453765 579A 0.455235 580A 0.455829
723 581A 0.458337 582A 0.461067 583A 0.462503
724 584A 0.463171 585A 0.464102 586A 0.465204
725 587A 0.466294 588A 0.467651 589A 0.470059
726 590A 0.471503 591A 0.472252 592A 0.473178
727 593A 0.474430 594A 0.475424 595A 0.476515
728 596A 0.478271 597A 0.480776 598A 0.481229
729 599A 0.482124 600A 0.485116 601A 0.486273
730 602A 0.486915 603A 0.488713 604A 0.489527
731 605A 0.490787 606A 0.491417 607A 0.492747
732 608A 0.493386 609A 0.494519 610A 0.496670
733 611A 0.498081 612A 0.499899 613A 0.500434
734 614A 0.502157 615A 0.503096 616A 0.504077
735 617A 0.506177 618A 0.506947 619A 0.507957
736 620A 0.509779 621A 0.511850 622A 0.512364
737 623A 0.513626 624A 0.515561 625A 0.517805
738 626A 0.519235 627A 0.519821 628A 0.521040
739 629A 0.522415 630A 0.524461 631A 0.525295
740 632A 0.525979 633A 0.527144 634A 0.528293
741 635A 0.529053 636A 0.529566 637A 0.531056
742 638A 0.533307 639A 0.535529 640A 0.536395
743 641A 0.537291 642A 0.538934 643A 0.540823
744 644A 0.541530 645A 0.542807 646A 0.544670
745 647A 0.546395 648A 0.546918 649A 0.548499
746 650A 0.551228 651A 0.552411 652A 0.554162
747 653A 0.554863 654A 0.555936 655A 0.556986
748 656A 0.557811 657A 0.561109 658A 0.561153
749 659A 0.562040 660A 0.563697 661A 0.567127
750 662A 0.568322 663A 0.568980 664A 0.569573
751 665A 0.571221 666A 0.573256 667A 0.575055
752 668A 0.576173 669A 0.576579 670A 0.578333
753 671A 0.579187 672A 0.580633 673A 0.581336
754 674A 0.581903 675A 0.583458 676A 0.585563
755 677A 0.587242 678A 0.588673 679A 0.589546
756 680A 0.591109 681A 0.591135 682A 0.593771
757 683A 0.594819 684A 0.598393 685A 0.599301
758 686A 0.599487 687A 0.601000 688A 0.602627
759 689A 0.603991 690A 0.605158 691A 0.607267
760 692A 0.609218 693A 0.610128 694A 0.612208
761 695A 0.613029 696A 0.615557 697A 0.616708
762 698A 0.618096 699A 0.618580 700A 0.620748
763 701A 0.622260 702A 0.624129 703A 0.625054
764 704A 0.626099 705A 0.628704 706A 0.629386
765 707A 0.632104 708A 0.633141 709A 0.634035
766 710A 0.637222 711A 0.638289 712A 0.640476
767 713A 0.642056 714A 0.643388 715A 0.644455
768 716A 0.646672 717A 0.647955 718A 0.650126
769 719A 0.650559 720A 0.651325 721A 0.655190
770 722A 0.656995 723A 0.658048 724A 0.659821
771 725A 0.661290 726A 0.663273 727A 0.665167
772 728A 0.667015 729A 0.668850 730A 0.669825
773 731A 0.670600 732A 0.670977 733A 0.673355
774 734A 0.675483 735A 0.676831 736A 0.678636
775 737A 0.681450 738A 0.683995 739A 0.685707
776 740A 0.685809 741A 0.687816 742A 0.689390
777 743A 0.691838 744A 0.692813 745A 0.694210
778 746A 0.695464 747A 0.698944 748A 0.699505
779 749A 0.701577 750A 0.702843 751A 0.703456
780 752A 0.704117 753A 0.705033 754A 0.707589
781 755A 0.710200 756A 0.711069 757A 0.712330
782 758A 0.712575 759A 0.714392 760A 0.715781
783 761A 0.717314 762A 0.721519 763A 0.723208
784 764A 0.725245 765A 0.727564 766A 0.728618
785 767A 0.731599 768A 0.732112 769A 0.732829
786 770A 0.733236 771A 0.734783 772A 0.737927
787 773A 0.739338 774A 0.743119 775A 0.744277
788 776A 0.744700 777A 0.747202 778A 0.747733
789 779A 0.748808 780A 0.749703 781A 0.752205
790 782A 0.753830 783A 0.755990 784A 0.758505
791 785A 0.759395 786A 0.760200 787A 0.762136
792 788A 0.763182 789A 0.765106 790A 0.766679
793 791A 0.768342 792A 0.769834 793A 0.772143
794 794A 0.772621 795A 0.776243 796A 0.776860
795 797A 0.777471 798A 0.778891 799A 0.781677
796 800A 0.782938 801A 0.784189 802A 0.785362
797 803A 0.786147 804A 0.788128 805A 0.790395
798 806A 0.790986 807A 0.791767 808A 0.794888
799 809A 0.795792 810A 0.796943 811A 0.800945
800 812A 0.803275 813A 0.804087 814A 0.807394
801 815A 0.807862 816A 0.809474 817A 0.811521
802 818A 0.813608 819A 0.814388 820A 0.816799
803 821A 0.819416 822A 0.820387 823A 0.822439
804 824A 0.823464 825A 0.825673 826A 0.827398
805 827A 0.828874 828A 0.832008 829A 0.834648
806 830A 0.836358 831A 0.838243 832A 0.840096
807 833A 0.841115 834A 0.842907 835A 0.847202
808 836A 0.848530 837A 0.849710 838A 0.853419
809 839A 0.853840 840A 0.854648 841A 0.856512
810 842A 0.858362 843A 0.860101 844A 0.863287
811 845A 0.866670 846A 0.867810 847A 0.870235
812 848A 0.870647 849A 0.872808 850A 0.875998
813 851A 0.878948 852A 0.881597 853A 0.883289
814 854A 0.885533 855A 0.887208 856A 0.891079
815 857A 0.892876 858A 0.896073 859A 0.897308
816 860A 0.900024 861A 0.901653 862A 0.901884
817 863A 0.904398 864A 0.905359 865A 0.906327
818 866A 0.909485 867A 0.909811 868A 0.911682
819 869A 0.913114 870A 0.915345 871A 0.918043
820 872A 0.920850 873A 0.922011 874A 0.924224
821 875A 0.927230 876A 0.928748 877A 0.929832
822 878A 0.931199 879A 0.933257 880A 0.934816
823 881A 0.936067 882A 0.938111 883A 0.938707
824 884A 0.944162 885A 0.945344 886A 0.947131
825 887A 0.949093 888A 0.950436 889A 0.952040
826 890A 0.953407 891A 0.955702 892A 0.956939
827 893A 0.958087 894A 0.962620 895A 0.963694
828 896A 0.966174 897A 0.967394 898A 0.969510
829 899A 0.970236 900A 0.972973 901A 0.973846
830 902A 0.974312 903A 0.978139 904A 0.979608
831 905A 0.981953 906A 0.983982 907A 0.985237
832 908A 0.985980 909A 0.986805 910A 0.989203
833 911A 0.990358 912A 0.991581 913A 0.993231
834 914A 0.994984 915A 0.995920 916A 0.996575
835 917A 1.000721 918A 1.002617 919A 1.002673
836 920A 1.005198 921A 1.008151 922A 1.008770
837 923A 1.010779 924A 1.011687 925A 1.013107
838 926A 1.013750 927A 1.015436 928A 1.015757
839 929A 1.017542 930A 1.020949 931A 1.021865
840 932A 1.023858 933A 1.025550 934A 1.028540
841 935A 1.030240 936A 1.030533 937A 1.032108
842 938A 1.034101 939A 1.035709 940A 1.036838
843 941A 1.038984 942A 1.040403 943A 1.042020
844 944A 1.044387 945A 1.046322 946A 1.048291
845 947A 1.050750 948A 1.053247 949A 1.053457
846 950A 1.053586 951A 1.055901 952A 1.057965
847 953A 1.059170 954A 1.061983 955A 1.063494
848 956A 1.064044 957A 1.066255 958A 1.067757
849 959A 1.068279 960A 1.069542 961A 1.071901
850 962A 1.072767 963A 1.075349 964A 1.075590
851 965A 1.078484 966A 1.079464 967A 1.081189
852 968A 1.083355 969A 1.084542 970A 1.085855
853 971A 1.086814 972A 1.087793 973A 1.091277
854 974A 1.092465 975A 1.095364 976A 1.096700
855 977A 1.098192 978A 1.099304 979A 1.099645
856 980A 1.101353 981A 1.103349 982A 1.104494
857 983A 1.106694 984A 1.108353 985A 1.110545
858 986A 1.110760 987A 1.112616 988A 1.114006
859 989A 1.115380 990A 1.116255 991A 1.117895
860 992A 1.122982 993A 1.123451 994A 1.124865
861 995A 1.127750 996A 1.128033 997A 1.129961
862 998A 1.131866 999A 1.132838 1000A 1.135010
863 1001A 1.135597 1002A 1.136966 1003A 1.139489
864 1004A 1.140940 1005A 1.142226 1006A 1.145439
865 1007A 1.146676 1008A 1.148289 1009A 1.150850
866 1010A 1.152100 1011A 1.154739 1012A 1.156195
867 1013A 1.156419 1014A 1.157301 1015A 1.159246
868 1016A 1.160807 1017A 1.162808 1018A 1.164682
869 1019A 1.166152 1020A 1.167446 1021A 1.168468
870 1022A 1.171724 1023A 1.172870 1024A 1.174557
871 1025A 1.176909 1026A 1.177388 1027A 1.179154
872 1028A 1.180873 1029A 1.183420 1030A 1.184725
873 1031A 1.186317 1032A 1.187660 1033A 1.190431
874 1034A 1.191093 1035A 1.192845 1036A 1.193603
875 1037A 1.194761 1038A 1.196254 1039A 1.198787
876 1040A 1.200620 1041A 1.201391 1042A 1.203199
877 1043A 1.204609 1044A 1.205575 1045A 1.206436
878 1046A 1.207608 1047A 1.209876 1048A 1.213549
879 1049A 1.213803 1050A 1.215430 1051A 1.216803
880 1052A 1.218737 1053A 1.219386 1054A 1.221953
881 1055A 1.225200 1056A 1.225894 1057A 1.229645
882 1058A 1.230662 1059A 1.231177 1060A 1.233055
883 1061A 1.236017 1062A 1.238212 1063A 1.240064
884 1064A 1.241884 1065A 1.243744 1066A 1.244434
885 1067A 1.245550 1068A 1.246076 1069A 1.248032
886 1070A 1.250218 1071A 1.253288 1072A 1.254144
887 1073A 1.256069 1074A 1.258676 1075A 1.260171
888 1076A 1.261214 1077A 1.263721 1078A 1.265351
889 1079A 1.268358 1080A 1.269136 1081A 1.270959
890 1082A 1.272591 1083A 1.274236 1084A 1.276314
891 1085A 1.277697 1086A 1.280343 1087A 1.282568
892 1088A 1.282838 1089A 1.284092 1090A 1.286484
893 1091A 1.288517 1092A 1.289414 1093A 1.290484
894 1094A 1.290895 1095A 1.293221 1096A 1.295141
895 1097A 1.296871 1098A 1.299739 1099A 1.300853
896 1100A 1.301284 1101A 1.303806 1102A 1.305813
897 1103A 1.307255 1104A 1.308293 1105A 1.310742
898 1106A 1.311899 1107A 1.314229 1108A 1.314506
899 1109A 1.317088 1110A 1.318603 1111A 1.320208
900 1112A 1.320539 1113A 1.322405 1114A 1.324189
901 1115A 1.325601 1116A 1.326892 1117A 1.328769
902 1118A 1.330386 1119A 1.333700 1120A 1.334027
903 1121A 1.335613 1122A 1.338209 1123A 1.338832
904 1124A 1.340388 1125A 1.341959 1126A 1.343568
905 1127A 1.344768 1128A 1.345786 1129A 1.348930
906 1130A 1.351128 1131A 1.352538 1132A 1.354282
907 1133A 1.355404 1134A 1.356456 1135A 1.358472
908 1136A 1.358938 1137A 1.359608 1138A 1.360928
909 1139A 1.361598 1140A 1.363221 1141A 1.364307
910 1142A 1.366638 1143A 1.368773 1144A 1.370715
911 1145A 1.370967 1146A 1.372600 1147A 1.375615
912 1148A 1.377303 1149A 1.378376 1150A 1.378825
913 1151A 1.380341 1152A 1.381880 1153A 1.383757
914 1154A 1.385369 1155A 1.386226 1156A 1.387165
915 1157A 1.389216 1158A 1.389552 1159A 1.391650
916 1160A 1.393514 1161A 1.394757 1162A 1.398125
917 1163A 1.399825 1164A 1.400796 1165A 1.401986
918 1166A 1.403202 1167A 1.405213 1168A 1.405760
919 1169A 1.407753 1170A 1.408430 1171A 1.411823
920 1172A 1.412859 1173A 1.414094 1174A 1.415244
921 1175A 1.416263 1176A 1.417606 1177A 1.419608
922 1178A 1.421719 1179A 1.422344 1180A 1.424441
923 1181A 1.426331 1182A 1.428375 1183A 1.431764
924 1184A 1.431906 1185A 1.435373 1186A 1.437152
925 1187A 1.439575 1188A 1.441405 1189A 1.441785
926 1190A 1.442768 1191A 1.445126 1192A 1.446097
927 1193A 1.446680 1194A 1.448670 1195A 1.452443
928 1196A 1.452566 1197A 1.454855 1198A 1.455710
929 1199A 1.457460 1200A 1.459765 1201A 1.461392
930 1202A 1.462787 1203A 1.465346 1204A 1.466640
931 1205A 1.467894 1206A 1.471753 1207A 1.474811
932 1208A 1.475507 1209A 1.477486 1210A 1.478597
933 1211A 1.479361 1212A 1.481238 1213A 1.484235
934 1214A 1.485374 1215A 1.487283 1216A 1.490279
935 1217A 1.492484 1218A 1.495302 1219A 1.496609
936 1220A 1.497674 1221A 1.499492 1222A 1.500488
937 1223A 1.504416 1224A 1.506250 1225A 1.508544
938 1226A 1.511147 1227A 1.511787 1228A 1.513258
939 1229A 1.515761 1230A 1.516757 1231A 1.518731
940 1232A 1.520124 1233A 1.522037 1234A 1.522966
941 1235A 1.525642 1236A 1.526970 1237A 1.530432
942 1238A 1.531627 1239A 1.533757 1240A 1.537552
943 1241A 1.538538 1242A 1.540558 1243A 1.543947
944 1244A 1.545739 1245A 1.547294 1246A 1.549483
945 1247A 1.550560 1248A 1.552284 1249A 1.552970
946 1250A 1.555403 1251A 1.558903 1252A 1.559837
947 1253A 1.562586 1254A 1.563805 1255A 1.564576
948 1256A 1.566707 1257A 1.569666 1258A 1.572279
949 1259A 1.572361 1260A 1.574119 1261A 1.575861
950 1262A 1.577105 1263A 1.579400 1264A 1.583279
951 1265A 1.585971 1266A 1.586363 1267A 1.588047
952 1268A 1.590168 1269A 1.592094 1270A 1.593921
953 1271A 1.594787 1272A 1.595560 1273A 1.599031
954 1274A 1.600790 1275A 1.601256 1276A 1.602518
955 1277A 1.603851 1278A 1.605987 1279A 1.607358
956 1280A 1.608301 1281A 1.610816 1282A 1.614828
957 1283A 1.616103 1284A 1.617823 1285A 1.621334
958 1286A 1.623587 1287A 1.625135 1288A 1.626391
959 1289A 1.628524 1290A 1.628869 1291A 1.630753
960 1292A 1.631196 1293A 1.636165 1294A 1.637116
961 1295A 1.639559 1296A 1.640433 1297A 1.642474
962 1298A 1.643453 1299A 1.644759 1300A 1.648085
963 1301A 1.648780 1302A 1.649977 1303A 1.650838
964 1304A 1.652644 1305A 1.656119 1306A 1.657093
965 1307A 1.658519 1308A 1.660417 1309A 1.662942
966 1310A 1.664204 1311A 1.665105 1312A 1.667080
967 1313A 1.668394 1314A 1.669105 1315A 1.670019
968 1316A 1.672921 1317A 1.675245 1318A 1.677731
969 1319A 1.678864 1320A 1.680485 1321A 1.681502
970 1322A 1.682463 1323A 1.686259 1324A 1.688151
971 1325A 1.690179 1326A 1.690897 1327A 1.692822
972 1328A 1.695252 1329A 1.696264 1330A 1.699136
973 1331A 1.701513 1332A 1.703250 1333A 1.705169
974 1334A 1.706546 1335A 1.708265 1336A 1.711634
975 1337A 1.712728 1338A 1.715195 1339A 1.717951
976 1340A 1.721536 1341A 1.722725 1342A 1.725884
977 1343A 1.727692 1344A 1.730617 1345A 1.732824
978 1346A 1.734491 1347A 1.736388 1348A 1.739487
979 1349A 1.742271 1350A 1.744426 1351A 1.746885
980 1352A 1.748415 1353A 1.750332 1354A 1.752527
981 1355A 1.754155 1356A 1.755935 1357A 1.757114
982 1358A 1.759782 1359A 1.760742 1360A 1.765531
983 1361A 1.767687 1362A 1.768643 1363A 1.771489
984 1364A 1.774687 1365A 1.777256 1366A 1.777385
985 1367A 1.779325 1368A 1.783138 1369A 1.784182
986 1370A 1.787543 1371A 1.789905 1372A 1.790707
987 1373A 1.792812 1374A 1.795510 1375A 1.797125
988 1376A 1.803163 1377A 1.803397 1378A 1.806520
989 1379A 1.807015 1380A 1.810611 1381A 1.810633
990 1382A 1.813614 1383A 1.814669 1384A 1.818052
991 1385A 1.820364 1386A 1.822682 1387A 1.826901
992 1388A 1.830537 1389A 1.831120 1390A 1.833481
993 1391A 1.835247 1392A 1.836451 1393A 1.838541
994 1394A 1.841020 1395A 1.844631 1396A 1.845232
995 1397A 1.846226 1398A 1.850835 1399A 1.857206
996 1400A 1.857977 1401A 1.859243 1402A 1.861989
997 1403A 1.863768 1404A 1.865298 1405A 1.867447
998 1406A 1.870719 1407A 1.874744 1408A 1.876118
999 1409A 1.877003 1410A 1.881780 1411A 1.882822
1000 1412A 1.887170 1413A 1.889430 1414A 1.890698
1001 1415A 1.892380 1416A 1.894614 1417A 1.898097
1002 1418A 1.898377 1419A 1.900858 1420A 1.904292
1003 1421A 1.906585 1422A 1.908895 1423A 1.910412
1004 1424A 1.913964 1425A 1.915875 1426A 1.916464
1005 1427A 1.917842 1428A 1.922401 1429A 1.923918
1006 1430A 1.926741 1431A 1.928514 1432A 1.930789
1007 1433A 1.931857 1434A 1.932397 1435A 1.937240
1008 1436A 1.939142 1437A 1.941443 1438A 1.942499
1009 1439A 1.945413 1440A 1.948131 1441A 1.949830
1010 1442A 1.950223 1443A 1.953880 1444A 1.956196
1011 1445A 1.959561 1446A 1.960190 1447A 1.961389
1012 1448A 1.964569 1449A 1.968979 1450A 1.970054
1013 1451A 1.971910 1452A 1.975145 1453A 1.979306
1014 1454A 1.980359 1455A 1.982894 1456A 1.983664
1015 1457A 1.985871 1458A 1.991351 1459A 1.994268
1016 1460A 1.996665 1461A 1.997613 1462A 2.004214
1017 1463A 2.005013 1464A 2.005999 1465A 2.009806
1018 1466A 2.012339 1467A 2.014712 1468A 2.017335
1019 1469A 2.019114 1470A 2.021835 1471A 2.027241
1020 1472A 2.029732 1473A 2.031328 1474A 2.034612
1021 1475A 2.037743 1476A 2.041976 1477A 2.043009
1022 1478A 2.046824 1479A 2.049641 1480A 2.051129
1023 1481A 2.052396 1482A 2.056145 1483A 2.058419
1024 1484A 2.060674 1485A 2.064619 1486A 2.066599
1025 1487A 2.068329 1488A 2.070582 1489A 2.073431
1026 1490A 2.077641 1491A 2.078632 1492A 2.082528
1027 1493A 2.084127 1494A 2.087009 1495A 2.091817
1028 1496A 2.092818 1497A 2.094528 1498A 2.098260
1029 1499A 2.103352 1500A 2.105976 1501A 2.110347
1030 1502A 2.110647 1503A 2.114621 1504A 2.115349
1031 1505A 2.117448 1506A 2.119595 1507A 2.124781
1032 1508A 2.127299 1509A 2.130865 1510A 2.131930
1033 1511A 2.134179 1512A 2.139063 1513A 2.139609
1034 1514A 2.142374 1515A 2.144066 1516A 2.148250
1035 1517A 2.149685 1518A 2.151634 1519A 2.154129
1036 1520A 2.156027 1521A 2.157302 1522A 2.159901
1037 1523A 2.163320 1524A 2.165795 1525A 2.168531
1038 1526A 2.170850 1527A 2.170944 1528A 2.173041
1039 1529A 2.177210 1530A 2.178574 1531A 2.180937
1040 1532A 2.183176 1533A 2.185733 1534A 2.186469
1041 1535A 2.190973 1536A 2.191944 1537A 2.195205
1042 1538A 2.198347 1539A 2.201778 1540A 2.203056
1043 1541A 2.203993 1542A 2.207875 1543A 2.212345
1044 1544A 2.215399 1545A 2.217130 1546A 2.219179
1045 1547A 2.223472 1548A 2.225460 1549A 2.228620
1046 1550A 2.229842 1551A 2.232382 1552A 2.237743
1047 1553A 2.241107 1554A 2.244443 1555A 2.249460
1048 1556A 2.253925 1557A 2.254868 1558A 2.259346
1049 1559A 2.260076 1560A 2.263506 1561A 2.267276
1050 1562A 2.272443 1563A 2.275844 1564A 2.279081
1051 1565A 2.282760 1566A 2.286520 1567A 2.288857
1052 1568A 2.291903 1569A 2.294818 1570A 2.298289
1053 1571A 2.300051 1572A 2.303773 1573A 2.306144
1054 1574A 2.309745 1575A 2.314266 1576A 2.315881
1055 1577A 2.319727 1578A 2.325029 1579A 2.330870
1056 1580A 2.336723 1581A 2.338457 1582A 2.341743
1057 1583A 2.345787 1584A 2.347620 1585A 2.352448
1058 1586A 2.354339 1587A 2.357551 1588A 2.361926
1059 1589A 2.365773 1590A 2.367442 1591A 2.368931
1060 1592A 2.375241 1593A 2.376385 1594A 2.379282
1061 1595A 2.385317 1596A 2.387545 1597A 2.389014
1062 1598A 2.392488 1599A 2.394076 1600A 2.395335
1063 1601A 2.402794 1602A 2.406302 1603A 2.407801
1064 1604A 2.411416 1605A 2.416112 1606A 2.417656
1065 1607A 2.419133 1608A 2.420612 1609A 2.422810
1066 1610A 2.427630 1611A 2.431258 1612A 2.434394
1067 1613A 2.439249 1614A 2.446327 1615A 2.449162
1068 1616A 2.451936 1617A 2.454052 1618A 2.461913
1069 1619A 2.462731 1620A 2.464658 1621A 2.471088
1070 1622A 2.471398 1623A 2.475957 1624A 2.478483
1071 1625A 2.483043 1626A 2.485908 1627A 2.492017
1072 1628A 2.496419 1629A 2.498058 1630A 2.499918
1073 1631A 2.502680 1632A 2.503954 1633A 2.507047
1074 1634A 2.509209 1635A 2.511778 1636A 2.514386
1075 1637A 2.515723 1638A 2.516676 1639A 2.523091
1076 1640A 2.523506 1641A 2.523765 1642A 2.527678
1077 1643A 2.530186 1644A 2.533113 1645A 2.538640
1078 1646A 2.543518 1647A 2.546871 1648A 2.550818
1079 1649A 2.557029 1650A 2.560039 1651A 2.563985
1080 1652A 2.569416 1653A 2.570870 1654A 2.572785
1081 1655A 2.582375 1656A 2.585497 1657A 2.587924
1082 1658A 2.590808 1659A 2.592499 1660A 2.597372
1083 1661A 2.599529 1662A 2.602821 1663A 2.605582
1084 1664A 2.610724 1665A 2.613560 1666A 2.615636
1085 1667A 2.618699 1668A 2.620945 1669A 2.624185
1086 1670A 2.628439 1671A 2.628814 1672A 2.629952
1087 1673A 2.633796 1674A 2.635403 1675A 2.637700
1088 1676A 2.644147 1677A 2.647175 1678A 2.651941
1089 1679A 2.654661 1680A 2.657946 1681A 2.659297
1090 1682A 2.661504 1683A 2.665887 1684A 2.666115
1091 1685A 2.667804 1686A 2.672606 1687A 2.674663
1092 1688A 2.675896 1689A 2.683370 1690A 2.685466
1093 1691A 2.688973 1692A 2.690043 1693A 2.693733
1094 1694A 2.696230 1695A 2.698274 1696A 2.701696
1095 1697A 2.705068 1698A 2.707862 1699A 2.709818
1096 1700A 2.714444 1701A 2.716253 1702A 2.716671
1097 1703A 2.721313 1704A 2.721637 1705A 2.722763
1098 1706A 2.727821 1707A 2.730374 1708A 2.734361
1099 1709A 2.736655 1710A 2.741273 1711A 2.743083
1100 1712A 2.745006 1713A 2.746670 1714A 2.749087
1101 1715A 2.749460 1716A 2.750220 1717A 2.755846
1102 1718A 2.760802 1719A 2.764134 1720A 2.768864
1103 1721A 2.770072 1722A 2.772060 1723A 2.774414
1104 1724A 2.775478 1725A 2.778288 1726A 2.779158
1105 1727A 2.780486 1728A 2.783183 1729A 2.783894
1106 1730A 2.786008 1731A 2.789017 1732A 2.792442
1107 1733A 2.792926 1734A 2.795277 1735A 2.798766
1108 1736A 2.799500 1737A 2.802767 1738A 2.805155
1109 1739A 2.808120 1740A 2.809285 1741A 2.809878
1110 1742A 2.811645 1743A 2.814685 1744A 2.815855
1111 1745A 2.818636 1746A 2.822820 1747A 2.825554
1112 1748A 2.827045 1749A 2.830296 1750A 2.832865
1113 1751A 2.833873 1752A 2.836398 1753A 2.838820
1114 1754A 2.841235 1755A 2.843312 1756A 2.845798
1115 1757A 2.846729 1758A 2.850429 1759A 2.851404
1116 1760A 2.855732 1761A 2.858482 1762A 2.861131
1117 1763A 2.861980 1764A 2.863779 1765A 2.866190
1118 1766A 2.867519 1767A 2.871190 1768A 2.873558
1119 1769A 2.875008 1770A 2.878529 1771A 2.880650
1120 1772A 2.882821 1773A 2.883299 1774A 2.887005
1121 1775A 2.889092 1776A 2.889840 1777A 2.891073
1122 1778A 2.893423 1779A 2.896994 1780A 2.898179
1123 1781A 2.901295 1782A 2.902584 1783A 2.904807
1124 1784A 2.905750 1785A 2.909550 1786A 2.911245
1125 1787A 2.914796 1788A 2.916082 1789A 2.917795
1126 1790A 2.921005 1791A 2.921586 1792A 2.923507
1127 1793A 2.924270 1794A 2.928618 1795A 2.929950
1128 1796A 2.932195 1797A 2.935231 1798A 2.935369
1129 1799A 2.937196 1800A 2.940693 1801A 2.942279
1130 1802A 2.943765 1803A 2.945109 1804A 2.947102
1131 1805A 2.949224 1806A 2.951321 1807A 2.955601
1132 1808A 2.957153 1809A 2.957556 1810A 2.960173
1133 1811A 2.963461 1812A 2.964592 1813A 2.965835
1134 1814A 2.968298 1815A 2.969482 1816A 2.970066
1135 1817A 2.971981 1818A 2.973953 1819A 2.977201
1136 1820A 2.979100 1821A 2.981144 1822A 2.981925
1137 1823A 2.982986 1824A 2.984877 1825A 2.986490
1138 1826A 2.987769 1827A 2.992117 1828A 2.993615
1139 1829A 2.996690 1830A 2.997497 1831A 2.999682
1140 1832A 3.001062 1833A 3.003907 1834A 3.006186
1141 1835A 3.007370 1836A 3.009455 1837A 3.011928
1142 1838A 3.012736 1839A 3.015573 1840A 3.019559
1143 1841A 3.022263 1842A 3.023437 1843A 3.027020
1144 1844A 3.028395 1845A 3.029368 1846A 3.029565
1145 1847A 3.033794 1848A 3.034551 1849A 3.037822
1146 1850A 3.041189 1851A 3.041805 1852A 3.044374
1147 1853A 3.046798 1854A 3.051782 1855A 3.053664
1148 1856A 3.054336 1857A 3.056318 1858A 3.057567
1149 1859A 3.057980 1860A 3.060032 1861A 3.063159
1150 1862A 3.066578 1863A 3.068152 1864A 3.069977
1151 1865A 3.071035 1866A 3.074974 1867A 3.079376
1152 1868A 3.079709 1869A 3.081863 1870A 3.084724
1153 1871A 3.085341 1872A 3.088639 1873A 3.091095
1154 1874A 3.091606 1875A 3.095309 1876A 3.097067
1155 1877A 3.100050 1878A 3.101495 1879A 3.103846
1156 1880A 3.104948 1881A 3.107022 1882A 3.108917
1157 1883A 3.109169 1884A 3.112111 1885A 3.113403
1158 1886A 3.117763 1887A 3.119295 1888A 3.121397
1159 1889A 3.122962 1890A 3.123322 1891A 3.124631
1160 1892A 3.126941 1893A 3.127867 1894A 3.129645
1161 1895A 3.131760 1896A 3.135547 1897A 3.136469
1162 1898A 3.137639 1899A 3.139548 1900A 3.140547
1163 1901A 3.141984 1902A 3.143288 1903A 3.145136
1164 1904A 3.146345 1905A 3.147120 1906A 3.149645
1165 1907A 3.151158 1908A 3.153562 1909A 3.155832
1166 1910A 3.156529 1911A 3.159208 1912A 3.160524
1167 1913A 3.161318 1914A 3.162551 1915A 3.166553
1168 1916A 3.167473 1917A 3.168679 1918A 3.170051
1169 1919A 3.172983 1920A 3.173749 1921A 3.175897
1170 1922A 3.176671 1923A 3.179253 1924A 3.180370
1171 1925A 3.180839 1926A 3.182512 1927A 3.183396
1172 1928A 3.185135 1929A 3.187495 1930A 3.189986
1173 1931A 3.191331 1932A 3.192196 1933A 3.193596
1174 1934A 3.194967 1935A 3.196772 1936A 3.199485
1175 1937A 3.199958 1938A 3.201314 1939A 3.201854
1176 1940A 3.203438 1941A 3.206345 1942A 3.208488
1177 1943A 3.210164 1944A 3.210738 1945A 3.213569
1178 1946A 3.214694 1947A 3.216679 1948A 3.217462
1179 1949A 3.218238 1950A 3.219942 1951A 3.222450
1180 1952A 3.223655 1953A 3.225425 1954A 3.225639
1181 1955A 3.227727 1956A 3.230753 1957A 3.232190
1182 1958A 3.232993 1959A 3.234311 1960A 3.235430
1183 1961A 3.238220 1962A 3.239515 1963A 3.240913
1184 1964A 3.243354 1965A 3.243896 1966A 3.245041
1185 1967A 3.245927 1968A 3.249596 1969A 3.250392
1186 1970A 3.251608 1971A 3.253853 1972A 3.254959
1187 1973A 3.257486 1974A 3.257901 1975A 3.260212
1188 1976A 3.260749 1977A 3.262878 1978A 3.263270
1189 1979A 3.265337 1980A 3.268202 1981A 3.269072
1190 1982A 3.271962 1983A 3.273009 1984A 3.275064
1191 1985A 3.275545 1986A 3.276796 1987A 3.278325
1192 1988A 3.279475 1989A 3.281693 1990A 3.281944
1193 1991A 3.282363 1992A 3.284697 1993A 3.286103
1194 1994A 3.290048 1995A 3.292253 1996A 3.293799
1195 1997A 3.294742 1998A 3.295196 1999A 3.298087
1196 2000A 3.298706 2001A 3.301476 2002A 3.302508
1197 2003A 3.304831 2004A 3.305904 2005A 3.308462
1198 2006A 3.309464 2007A 3.310164 2008A 3.312531
1199 2009A 3.314190 2010A 3.316642 2011A 3.317414
1200 2012A 3.321087 2013A 3.322513 2014A 3.322875
1201 2015A 3.324444 2016A 3.325871 2017A 3.326783
1202 2018A 3.328005 2019A 3.332785 2020A 3.334379
1203 2021A 3.335362 2022A 3.336296 2023A 3.340209
1204 2024A 3.341185 2025A 3.342568 2026A 3.342893
1205 2027A 3.347155 2028A 3.348542 2029A 3.349299
1206 2030A 3.351110 2031A 3.353073 2032A 3.354279
1207 2033A 3.357057 2034A 3.357794 2035A 3.360531
1208 2036A 3.361524 2037A 3.362393 2038A 3.362948
1209 2039A 3.364673 2040A 3.367599 2041A 3.368457
1210 2042A 3.369628 2043A 3.370658 2044A 3.372482
1211 2045A 3.373190 2046A 3.374665 2047A 3.376182
1212 2048A 3.376553 2049A 3.379570 2050A 3.380964
1213 2051A 3.381608 2052A 3.382899 2053A 3.385700
1214 2054A 3.387170 2055A 3.387747 2056A 3.389161
1215 2057A 3.390270 2058A 3.390861 2059A 3.393599
1216 2060A 3.393866 2061A 3.395321 2062A 3.397254
1217 2063A 3.398628 2064A 3.400717 2065A 3.402461
1218 2066A 3.402655 2067A 3.404442 2068A 3.404899
1219 2069A 3.406907 2070A 3.408718 2071A 3.409449
1220 2072A 3.410711 2073A 3.411657 2074A 3.414302
1221 2075A 3.414509 2076A 3.415848 2077A 3.418288
1222 2078A 3.421273 2079A 3.422272 2080A 3.424184
1223 2081A 3.425297 2082A 3.427428 2083A 3.428608
1224 2084A 3.429838 2085A 3.430148 2086A 3.431895
1225 2087A 3.433214 2088A 3.434423 2089A 3.435593
1226 2090A 3.436624 2091A 3.438063 2092A 3.438129
1227 2093A 3.439733 2094A 3.442590 2095A 3.443931
1228 2096A 3.444739 2097A 3.446258 2098A 3.446339
1229 2099A 3.447182 2100A 3.449919 2101A 3.451202
1230 2102A 3.452213 2103A 3.453339 2104A 3.456144
1231 2105A 3.456803 2106A 3.457878 2107A 3.458326
1232 2108A 3.459745 2109A 3.463220 2110A 3.464016
1233 2111A 3.465385 2112A 3.467714 2113A 3.468719
1234 2114A 3.468895 2115A 3.471266 2116A 3.471439
1235 2117A 3.472572 2118A 3.473790 2119A 3.475191
1236 2120A 3.476608 2121A 3.478176 2122A 3.480792
1237 2123A 3.482113 2124A 3.482921 2125A 3.483446
1238 2126A 3.486135 2127A 3.487012 2128A 3.488199
1239 2129A 3.489063 2130A 3.492065 2131A 3.492317
1240 2132A 3.493074 2133A 3.496312 2134A 3.496583
1241 2135A 3.497946 2136A 3.498548 2137A 3.500456
1242 2138A 3.501430 2139A 3.502590 2140A 3.505535
1243 2141A 3.506864 2142A 3.509000 2143A 3.510503
1244 2144A 3.511165 2145A 3.512700 2146A 3.514194
1245 2147A 3.515931 2148A 3.517136 2149A 3.518378
1246 2150A 3.520545 2151A 3.522768 2152A 3.525194
1247 2153A 3.526300 2154A 3.527969 2155A 3.529303
1248 2156A 3.529548 2157A 3.531925 2158A 3.533253
1249 2159A 3.534710 2160A 3.536965 2161A 3.537830
1250 2162A 3.538756 2163A 3.538874 2164A 3.539899
1251 2165A 3.543574 2166A 3.544566 2167A 3.546896
1252 2168A 3.549498 2169A 3.551307 2170A 3.552375
1253 2171A 3.552544 2172A 3.554688 2173A 3.556733
1254 2174A 3.557784 2175A 3.559705 2176A 3.562451
1255 2177A 3.564352 2178A 3.566088 2179A 3.566539
1256 2180A 3.567367 2181A 3.569102 2182A 3.571136
1257 2183A 3.572869 2184A 3.575468 2185A 3.575951
1258 2186A 3.577112 2187A 3.577698 2188A 3.580816
1259 2189A 3.581245 2190A 3.583229 2191A 3.585343
1260 2192A 3.585933 2193A 3.587377 2194A 3.590040
1261 2195A 3.591473 2196A 3.592352 2197A 3.593801
1262 2198A 3.596810 2199A 3.598331 2200A 3.598960
1263 2201A 3.600632 2202A 3.602025 2203A 3.603202
1264 2204A 3.603350 2205A 3.605959 2206A 3.607229
1265 2207A 3.608060 2208A 3.610798 2209A 3.612188
1266 2210A 3.613076 2211A 3.615687 2212A 3.616776
1267 2213A 3.618492 2214A 3.619424 2215A 3.620724
1268 2216A 3.621807 2217A 3.626029 2218A 3.628852
1269 2219A 3.628922 2220A 3.630847 2221A 3.631615
1270 2222A 3.633609 2223A 3.635085 2224A 3.638291
1271 2225A 3.638637 2226A 3.639397 2227A 3.640560
1272 2228A 3.641613 2229A 3.643887 2230A 3.645448
1273 2231A 3.646629 2232A 3.649943 2233A 3.651172
1274 2234A 3.653124 2235A 3.654396 2236A 3.655749
1275 2237A 3.657271 2238A 3.658518 2239A 3.660119
1276 2240A 3.662178 2241A 3.664042 2242A 3.665408
1277 2243A 3.666617 2244A 3.669661 2245A 3.670561
1278 2246A 3.670839 2247A 3.672379 2248A 3.673263
1279 2249A 3.674374 2250A 3.674898 2251A 3.679187
1280 2252A 3.680762 2253A 3.684130 2254A 3.685139
1281 2255A 3.686266 2256A 3.687030 2257A 3.688017
1282 2258A 3.688353 2259A 3.691129 2260A 3.692196
1283 2261A 3.694093 2262A 3.696458 2263A 3.697249
1284 2264A 3.700749 2265A 3.701157 2266A 3.702291
1285 2267A 3.703171 2268A 3.704739 2269A 3.707395
1286 2270A 3.708989 2271A 3.709369 2272A 3.710462
1287 2273A 3.711768 2274A 3.713901 2275A 3.715747
1288 2276A 3.717833 2277A 3.718069 2278A 3.719971
1289 2279A 3.720739 2280A 3.724093 2281A 3.724841
1290 2282A 3.727639 2283A 3.728677 2284A 3.729675
1291 2285A 3.731278 2286A 3.732193 2287A 3.734989
1292 2288A 3.736134 2289A 3.738101 2290A 3.741662
1293 2291A 3.742334 2292A 3.742395 2293A 3.744041
1294 2294A 3.747842 2295A 3.748029 2296A 3.749660
1295 2297A 3.750866 2298A 3.753420 2299A 3.754822
1296 2300A 3.756224 2301A 3.757471 2302A 3.759115
1297 2303A 3.760939 2304A 3.761804 2305A 3.763653
1298 2306A 3.765432 2307A 3.766984 2308A 3.768542
1299 2309A 3.769109 2310A 3.771729 2311A 3.773217
1300 2312A 3.774708 2313A 3.776942 2314A 3.778595
1301 2315A 3.780201 2316A 3.781857 2317A 3.783196
1302 2318A 3.785643 2319A 3.787072 2320A 3.788375
1303 2321A 3.790514 2322A 3.792013 2323A 3.793676
1304 2324A 3.795749 2325A 3.797231 2326A 3.798104
1305 2327A 3.799515 2328A 3.802825 2329A 3.803722
1306 2330A 3.807315 2331A 3.808820 2332A 3.810176
1307 2333A 3.811385 2334A 3.812605 2335A 3.814706
1308 2336A 3.817341 2337A 3.817723 2338A 3.818163
1309 2339A 3.820989 2340A 3.823678 2341A 3.824375
1310 2342A 3.825308 2343A 3.827221 2344A 3.829483
1311 2345A 3.831495 2346A 3.832472 2347A 3.835720
1312 2348A 3.836896 2349A 3.837894 2350A 3.841461
1313 2351A 3.841799 2352A 3.842912 2353A 3.844518
1314 2354A 3.848878 2355A 3.850094 2356A 3.851672
1315 2357A 3.852625 2358A 3.854625 2359A 3.855423
1316 2360A 3.857243 2361A 3.860866 2362A 3.861514
1317 2363A 3.862378 2364A 3.864399 2365A 3.865327
1318 2366A 3.865641 2367A 3.867582 2368A 3.868276
1319 2369A 3.869747 2370A 3.872384 2371A 3.873791
1320 2372A 3.874515 2373A 3.878266 2374A 3.881081
1321 2375A 3.882480 2376A 3.884018 2377A 3.885896
1322 2378A 3.886485 2379A 3.888213 2380A 3.890472
1323 2381A 3.891336 2382A 3.893456 2383A 3.894376
1324 2384A 3.896724 2385A 3.897965 2386A 3.898646
1325 2387A 3.901347 2388A 3.902960 2389A 3.903770
1326 2390A 3.907561 2391A 3.908637 2392A 3.909962
1327 2393A 3.911753 2394A 3.912895 2395A 3.915189
1328 2396A 3.916998 2397A 3.919855 2398A 3.920567
1329 2399A 3.923436 2400A 3.927476 2401A 3.929090
1330 2402A 3.930546 2403A 3.932376 2404A 3.933603
1331 2405A 3.934984 2406A 3.938583 2407A 3.940721
1332 2408A 3.942153 2409A 3.944741 2410A 3.946453
1333 2411A 3.947086 2412A 3.949386 2413A 3.950494
1334 2414A 3.952072 2415A 3.953144 2416A 3.954563
1335 2417A 3.957142 2418A 3.959102 2419A 3.961526
1336 2420A 3.964121 2421A 3.964686 2422A 3.967197
1337 2423A 3.969594 2424A 3.972654 2425A 3.974209
1338 2426A 3.976733 2427A 3.978194 2428A 3.979909
1339 2429A 3.981427 2430A 3.983533 2431A 3.985022
1340 2432A 3.987670 2433A 3.990081 2434A 3.991829
1341 2435A 3.993672 2436A 3.994888 2437A 3.996415
1342 2438A 3.997490 2439A 4.001053 2440A 4.003474
1343 2441A 4.006123 2442A 4.008642 2443A 4.009673
1344 2444A 4.009891 2445A 4.013102 2446A 4.014862
1345 2447A 4.017986 2448A 4.020417 2449A 4.021748
1346 2450A 4.022396 2451A 4.023497 2452A 4.024276
1347 2453A 4.025874 2454A 4.029020 2455A 4.031480
1348 2456A 4.034504 2457A 4.037411 2458A 4.040605
1349 2459A 4.041778 2460A 4.042868 2461A 4.044712
1350 2462A 4.045903 2463A 4.047663 2464A 4.048986
1351 2465A 4.051992 2466A 4.054030 2467A 4.056281
1352 2468A 4.058114 2469A 4.060072 2470A 4.063600
1353 2471A 4.064373 2472A 4.065513 2473A 4.067850
1354 2474A 4.069405 2475A 4.071426 2476A 4.072800
1355 2477A 4.074807 2478A 4.075793 2479A 4.078634
1356 2480A 4.079816 2481A 4.084855 2482A 4.086805
1357 2483A 4.087934 2484A 4.088685 2485A 4.093212
1358 2486A 4.096251 2487A 4.096795 2488A 4.099445
1359 2489A 4.100058 2490A 4.102228 2491A 4.106802
1360 2492A 4.107642 2493A 4.111033 2494A 4.111738
1361 2495A 4.116092 2496A 4.116446 2497A 4.118666
1362 2498A 4.119542 2499A 4.121485 2500A 4.123570
1363 2501A 4.124732 2502A 4.128897 2503A 4.130568
1364 2504A 4.130901 2505A 4.133582 2506A 4.136714
1365 2507A 4.138290 2508A 4.140690 2509A 4.142648
1366 2510A 4.143903 2511A 4.145685 2512A 4.148504
1367 2513A 4.149632 2514A 4.154001 2515A 4.156991
1368 2516A 4.157309 2517A 4.160194 2518A 4.163120
1369 2519A 4.166237 2520A 4.168369 2521A 4.170640
1370 2522A 4.174060 2523A 4.177662 2524A 4.178423
1371 2525A 4.181373 2526A 4.181725 2527A 4.183531
1372 2528A 4.187174 2529A 4.189444 2530A 4.191016
1373 2531A 4.193073 2532A 4.196098 2533A 4.197433
1374 2534A 4.201601 2535A 4.202421 2536A 4.203630
1375 2537A 4.205569 2538A 4.206327 2539A 4.210540
1376 2540A 4.211869 2541A 4.213919 2542A 4.215440
1377 2543A 4.216248 2544A 4.218569 2545A 4.220019
1378 2546A 4.223118 2547A 4.225315 2548A 4.228480
1379 2549A 4.233388 2550A 4.233862 2551A 4.235657
1380 2552A 4.239699 2553A 4.240728 2554A 4.242610
1381 2555A 4.243415 2556A 4.246655 2557A 4.249595
1382 2558A 4.250612 2559A 4.252597 2560A 4.254988
1383 2561A 4.257805 2562A 4.260548 2563A 4.260833
1384 2564A 4.264278 2565A 4.266494 2566A 4.268847
1385 2567A 4.269695 2568A 4.273994 2569A 4.276523
1386 2570A 4.279617 2571A 4.281406 2572A 4.283682
1387 2573A 4.285707 2574A 4.288115 2575A 4.290213
1388 2576A 4.291855 2577A 4.293628 2578A 4.294678
1389 2579A 4.296810 2580A 4.301644 2581A 4.303186
1390 2582A 4.305233 2583A 4.306430 2584A 4.309214
1391 2585A 4.311253 2586A 4.312026 2587A 4.315366
1392 2588A 4.317274 2589A 4.318287 2590A 4.322642
1393 2591A 4.324636 2592A 4.326256 2593A 4.328598
1394 2594A 4.330210 2595A 4.332555 2596A 4.337163
1395 2597A 4.338030 2598A 4.340165 2599A 4.340939
1396 2600A 4.343687 2601A 4.345906 2602A 4.348716
1397 2603A 4.350132 2604A 4.351959 2605A 4.353564
1398 2606A 4.356932 2607A 4.359572 2608A 4.361109
1399 2609A 4.364158 2610A 4.366340 2611A 4.367760
1400 2612A 4.368841 2613A 4.369962 2614A 4.370423
1401 2615A 4.372358 2616A 4.373553 2617A 4.375418
1402 2618A 4.376645 2619A 4.380497 2620A 4.383930
1403 2621A 4.384936 2622A 4.386986 2623A 4.388399
1404 2624A 4.389322 2625A 4.390973 2626A 4.393662
1405 2627A 4.395208 2628A 4.397611 2629A 4.398559
1406 2630A 4.400288 2631A 4.403730 2632A 4.404774
1407 2633A 4.407838 2634A 4.408921 2635A 4.410990
1408 2636A 4.412898 2637A 4.415354 2638A 4.418320
1409 2639A 4.419071 2640A 4.422930 2641A 4.424570
1410 2642A 4.426088 2643A 4.427464 2644A 4.431234
1411 2645A 4.432210 2646A 4.432864 2647A 4.436351
1412 2648A 4.438337 2649A 4.440206 2650A 4.441575
1413 2651A 4.444223 2652A 4.446412 2653A 4.447188
1414 2654A 4.449502 2655A 4.451413 2656A 4.452998
1415 2657A 4.454227 2658A 4.456047 2659A 4.458591
1416 2660A 4.461161 2661A 4.462387 2662A 4.465044
1417 2663A 4.466182 2664A 4.468122 2665A 4.469427
1418 2666A 4.470323 2667A 4.474642 2668A 4.476060
1419 2669A 4.478644 2670A 4.479341 2671A 4.481342
1420 2672A 4.482048 2673A 4.484955 2674A 4.486098
1421 2675A 4.487225 2676A 4.489842 2677A 4.491543
1422 2678A 4.492961 2679A 4.494664 2680A 4.495803
1423 2681A 4.497631 2682A 4.498694 2683A 4.500991
1424 2684A 4.504588 2685A 4.506090 2686A 4.507692
1425 2687A 4.510775 2688A 4.514040 2689A 4.515807
1426 2690A 4.518403 2691A 4.519257 2692A 4.521479
1427 2693A 4.522562 2694A 4.524516 2695A 4.526842
1428 2696A 4.529687 2697A 4.529981 2698A 4.532265
1429 2699A 4.533465 2700A 4.537301 2701A 4.539423
1430 2702A 4.540505 2703A 4.541718 2704A 4.543009
1431 2705A 4.548215 2706A 4.550929 2707A 4.552928
1432 2708A 4.554362 2709A 4.555848 2710A 4.556126
1433 2711A 4.556896 2712A 4.559436 2713A 4.560507
1434 2714A 4.563902 2715A 4.567166 2716A 4.571082
1435 2717A 4.573490 2718A 4.574326 2719A 4.576846
1436 2720A 4.577039 2721A 4.578416 2722A 4.580865
1437 2723A 4.583331 2724A 4.584419 2725A 4.587268
1438 2726A 4.588705 2727A 4.590929 2728A 4.592155
1439 2729A 4.597710 2730A 4.598737 2731A 4.604092
1440 2732A 4.605162 2733A 4.605613 2734A 4.606828
1441 2735A 4.608520 2736A 4.609513 2737A 4.611404
1442 2738A 4.613315 2739A 4.617129 2740A 4.617796
1443 2741A 4.619234 2742A 4.620892 2743A 4.623514
1444 2744A 4.625874 2745A 4.627300 2746A 4.631683
1445 2747A 4.633994 2748A 4.635596 2749A 4.637633
1446 2750A 4.639685 2751A 4.640909 2752A 4.642110
1447 2753A 4.643963 2754A 4.646036 2755A 4.648163
1448 2756A 4.651834 2757A 4.653309 2758A 4.655068
1449 2759A 4.656049 2760A 4.658094 2761A 4.660957
1450 2762A 4.662011 2763A 4.663338 2764A 4.666761
1451 2765A 4.668217 2766A 4.670310 2767A 4.671243
1452 2768A 4.672239 2769A 4.676397 2770A 4.677823
1453 2771A 4.678468 2772A 4.680744 2773A 4.685752
1454 2774A 4.686282 2775A 4.688551 2776A 4.691955
1455 2777A 4.694583 2778A 4.697113 2779A 4.698397
1456 2780A 4.699950 2781A 4.700293 2782A 4.702176
1457 2783A 4.703697 2784A 4.705796 2785A 4.707712
1458 2786A 4.709894 2787A 4.712159 2788A 4.714515
1459 2789A 4.718905 2790A 4.721822 2791A 4.723290
1460 2792A 4.726663 2793A 4.727859 2794A 4.731464
1461 2795A 4.734641 2796A 4.735561 2797A 4.740312
1462 2798A 4.741652 2799A 4.744520 2800A 4.747579
1463 2801A 4.751800 2802A 4.752570 2803A 4.755294
1464 2804A 4.755350 2805A 4.759046 2806A 4.761425
1465 2807A 4.766280 2808A 4.770280 2809A 4.772377
1466 2810A 4.772663 2811A 4.778803 2812A 4.780533
1467 2813A 4.783240 2814A 4.785274 2815A 4.786856
1468 2816A 4.787339 2817A 4.796409 2818A 4.797146
1469 2819A 4.803067 2820A 4.804917 2821A 4.807001
1470 2822A 4.808676 2823A 4.809969 2824A 4.812124
1471 2825A 4.813279 2826A 4.819060 2827A 4.822769
1472 2828A 4.825748 2829A 4.826806 2830A 4.830924
1473 2831A 4.832241 2832A 4.837993 2833A 4.844830
1474 2834A 4.848520 2835A 4.854499 2836A 4.857612
1475 2837A 4.859483 2838A 4.862407 2839A 4.865272
1476 2840A 4.871221 2841A 4.872627 2842A 4.881970
1477 2843A 4.884482 2844A 4.886590 2845A 4.891658
1478 2846A 4.893623 2847A 4.899470 2848A 4.905676
1479 2849A 4.907793 2850A 4.909277 2851A 4.910472
1480 2852A 4.916185 2853A 4.920895 2854A 4.923973
1481 2855A 4.926752 2856A 4.927865 2857A 4.934984
1482 2858A 4.938568 2859A 4.941082 2860A 4.943330
1483 2861A 4.946172 2862A 4.947802 2863A 4.951894
1484 2864A 4.954815 2865A 4.957069 2866A 4.957355
1485 2867A 4.961435 2868A 4.966061 2869A 4.966573
1486 2870A 4.968270 2871A 4.972385 2872A 4.974494
1487 2873A 4.977752 2874A 4.980934 2875A 4.982752
1488 2876A 4.987005 2877A 4.989266 2878A 4.993625
1489 2879A 4.994732 2880A 4.997683 2881A 5.000701
1490 2882A 5.002498 2883A 5.004573 2884A 5.006719
1491 2885A 5.008758 2886A 5.009322 2887A 5.012660
1492 2888A 5.014990 2889A 5.017957 2890A 5.019360
1493 2891A 5.022164 2892A 5.023864 2893A 5.025313
1494 2894A 5.028503 2895A 5.030388 2896A 5.031680
1495 2897A 5.034167 2898A 5.036429 2899A 5.039115
1496 2900A 5.041836 2901A 5.043846 2902A 5.045483
1497 2903A 5.049447 2904A 5.051082 2905A 5.053490
1498 2906A 5.055624 2907A 5.056360 2908A 5.058562
1499 2909A 5.060273 2910A 5.061721 2911A 5.065232
1500 2912A 5.067905 2913A 5.068058 2914A 5.070186
1501 2915A 5.072606 2916A 5.074336 2917A 5.079383
1502 2918A 5.081551 2919A 5.084241 2920A 5.086511
1503 2921A 5.088089 2922A 5.089414 2923A 5.091503
1504 2924A 5.094761 2925A 5.095108 2926A 5.099854
1505 2927A 5.101220 2928A 5.105234 2929A 5.106630
1506 2930A 5.108289 2931A 5.112204 2932A 5.113143
1507 2933A 5.114700 2934A 5.115584 2935A 5.121600
1508 2936A 5.124648 2937A 5.126010 2938A 5.126519
1509 2939A 5.131779 2940A 5.132200 2941A 5.134089
1510 2942A 5.135850 2943A 5.139541 2944A 5.142782
1511 2945A 5.145589 2946A 5.147024 2947A 5.148872
1512 2948A 5.151122 2949A 5.151616 2950A 5.155960
1513 2951A 5.156736 2952A 5.158899 2953A 5.161557
1514 2954A 5.162518 2955A 5.163580 2956A 5.165316
1515 2957A 5.167690 2958A 5.170418 2959A 5.171532
1516 2960A 5.172685 2961A 5.176459 2962A 5.177244
1517 2963A 5.179986 2964A 5.182463 2965A 5.184938
1518 2966A 5.188112 2967A 5.190273 2968A 5.191068
1519 2969A 5.194372 2970A 5.195954 2971A 5.196689
1520 2972A 5.201906 2973A 5.203599 2974A 5.207511
1521 2975A 5.208687 2976A 5.212946 2977A 5.214182
1522 2978A 5.219353 2979A 5.219436 2980A 5.221765
1523 2981A 5.225390 2982A 5.226714 2983A 5.230053
1524 2984A 5.231042 2985A 5.233647 2986A 5.235431
1525 2987A 5.236835 2988A 5.240109 2989A 5.240802
1526 2990A 5.244533 2991A 5.246885 2992A 5.249260
1527 2993A 5.254250 2994A 5.255991 2995A 5.257541
1528 2996A 5.260859 2997A 5.261107 2998A 5.263333
1529 2999A 5.265736 3000A 5.268187 3001A 5.268630
1530 3002A 5.268755 3003A 5.273443 3004A 5.275093
1531 3005A 5.276657 3006A 5.284047 3007A 5.284924
1532 3008A 5.288108 3009A 5.288766 3010A 5.291707
1533 3011A 5.293386 3012A 5.296562 3013A 5.298277
1534 3014A 5.299569 3015A 5.301792 3016A 5.303141
1535 3017A 5.306036 3018A 5.307755 3019A 5.308358
1536 3020A 5.311056 3021A 5.313572 3022A 5.319689
1537 3023A 5.321300 3024A 5.323581 3025A 5.324040
1538 3026A 5.325048 3027A 5.327139 3028A 5.331418
1539 3029A 5.333070 3030A 5.335304 3031A 5.336264
1540 3032A 5.340320 3033A 5.341910 3034A 5.342799
1541 3035A 5.345774 3036A 5.348806 3037A 5.351581
1542 3038A 5.352949 3039A 5.353173 3040A 5.356122
1543 3041A 5.361062 3042A 5.363034 3043A 5.366726
1544 3044A 5.367907 3045A 5.372659 3046A 5.375256
1545 3047A 5.377005 3048A 5.379349 3049A 5.381980
1546 3050A 5.386801 3051A 5.395942 3052A 5.396333
1547 3053A 5.399109 3054A 5.402481 3055A 5.405886
1548 3056A 5.407632 3057A 5.410149 3058A 5.412577
1549 3059A 5.413021 3060A 5.414563 3061A 5.416310
1550 3062A 5.419763 3063A 5.425767 3064A 5.429260
1551 3065A 5.429916 3066A 5.433636 3067A 5.434820
1552 3068A 5.437431 3069A 5.437780 3070A 5.442449
1553 3071A 5.446653 3072A 5.450198 3073A 5.453078
1554 3074A 5.453977 3075A 5.458463 3076A 5.462591
1555 3077A 5.465201 3078A 5.470411 3079A 5.472573
1556 3080A 5.473592 3081A 5.477754 3082A 5.479817
1557 3083A 5.484426 3084A 5.485612 3085A 5.486827
1558 3086A 5.491790 3087A 5.493880 3088A 5.497576
1559 3089A 5.500183 3090A 5.503408 3091A 5.504466
1560 3092A 5.509685 3093A 5.511968 3094A 5.514695
1561 3095A 5.519784 3096A 5.521637 3097A 5.523971
1562 3098A 5.525013 3099A 5.526650 3100A 5.527213
1563 3101A 5.532537 3102A 5.534382 3103A 5.535250
1564 3104A 5.539594 3105A 5.540482 3106A 5.541988
1565 3107A 5.544137 3108A 5.545692 3109A 5.546963
1566 3110A 5.549872 3111A 5.551705 3112A 5.553568
1567 3113A 5.557206 3114A 5.558806 3115A 5.560708
1568 3116A 5.562249 3117A 5.564402 3118A 5.566162
1569 3119A 5.568373 3120A 5.569131 3121A 5.572100
1570 3122A 5.573203 3123A 5.573305 3124A 5.575477
1571 3125A 5.577025 3126A 5.578976 3127A 5.579834
1572 3128A 5.582921 3129A 5.584641 3130A 5.585439
1573 3131A 5.588953 3132A 5.589942 3133A 5.591289
1574 3134A 5.592762 3135A 5.594663 3136A 5.597111
1575 3137A 5.598209 3138A 5.599592 3139A 5.600491
1576 3140A 5.603012 3141A 5.605541 3142A 5.607314
1577 3143A 5.611109 3144A 5.612434 3145A 5.614622
1578 3146A 5.615352 3147A 5.616733 3148A 5.618078
1579 3149A 5.619869 3150A 5.621914 3151A 5.624180
1580 3152A 5.626474 3153A 5.626730 3154A 5.631488
1581 3155A 5.632734 3156A 5.634616 3157A 5.636198
1582 3158A 5.637546 3159A 5.638144 3160A 5.641384
1583 3161A 5.643143 3162A 5.645871 3163A 5.648877
1584 3164A 5.650222 3165A 5.650776 3166A 5.652828
1585 3167A 5.654842 3168A 5.656266 3169A 5.657288
1586 3170A 5.657997 3171A 5.661839 3172A 5.664265
1587 3173A 5.664686 3174A 5.665466 3175A 5.667550
1588 3176A 5.669125 3177A 5.670076 3178A 5.671457
1589 3179A 5.674727 3180A 5.676287 3181A 5.676538
1590 3182A 5.678959 3183A 5.681176 3184A 5.683064
1591 3185A 5.684263 3186A 5.686303 3187A 5.687825
1592 3188A 5.688247 3189A 5.689152 3190A 5.691796
1593 3191A 5.694568 3192A 5.697583 3193A 5.698480
1594 3194A 5.699477 3195A 5.703701 3196A 5.707346
1595 3197A 5.708086 3198A 5.711106 3199A 5.712443
1596 3200A 5.714128 3201A 5.715276 3202A 5.716912
1597 3203A 5.719726 3204A 5.722325 3205A 5.723222
1598 3206A 5.726647 3207A 5.729984 3208A 5.733968
1599 3209A 5.736176 3210A 5.738126 3211A 5.741174
1600 3212A 5.743064 3213A 5.743687 3214A 5.749116
1601 3215A 5.751326 3216A 5.755993 3217A 5.758323
1602 3218A 5.758429 3219A 5.761831 3220A 5.764747
1603 3221A 5.764976 3222A 5.767544 3223A 5.769485
1604 3224A 5.770608 3225A 5.773418 3226A 5.776084
1605 3227A 5.777192 3228A 5.777709 3229A 5.783248
1606 3230A 5.785363 3231A 5.787586 3232A 5.790789
1607 3233A 5.792775 3234A 5.793989 3235A 5.796880
1608 3236A 5.798397 3237A 5.802885 3238A 5.805670
1609 3239A 5.807657 3240A 5.810248 3241A 5.812030
1610 3242A 5.812689 3243A 5.814956 3244A 5.818226
1611 3245A 5.821585 3246A 5.823222 3247A 5.824026
1612 3248A 5.827428 3249A 5.828372 3250A 5.829726
1613 3251A 5.832155 3252A 5.833838 3253A 5.834952
1614 3254A 5.840865 3255A 5.843170 3256A 5.843875
1615 3257A 5.848935 3258A 5.850270 3259A 5.853650
1616 3260A 5.855257 3261A 5.857572 3262A 5.859018
1617 3263A 5.861203 3264A 5.866231 3265A 5.869343
1618 3266A 5.872112 3267A 5.875471 3268A 5.876824
1619 3269A 5.881302 3270A 5.883732 3271A 5.888083
1620 3272A 5.892740 3273A 5.895928 3274A 5.902842
1621 3275A 5.911893 3276A 5.914630 3277A 5.915143
1622 3278A 5.920908 3279A 5.923711 3280A 5.928464
1623 3281A 5.930253 3282A 5.937386 3283A 5.939627
1624 3284A 5.945285 3285A 5.947246 3286A 5.947837
1625 3287A 5.949945 3288A 5.951875 3289A 5.952949
1626 3290A 5.956489 3291A 5.961373 3292A 5.966262
1627 3293A 5.966871 3294A 5.968814 3295A 5.972269
1628 3296A 5.973763 3297A 5.977629 3298A 5.980336
1629 3299A 5.984123 3300A 5.987404 3301A 5.992095
1630 3302A 5.998036 3303A 5.999055 3304A 6.004106
1631 3305A 6.010420 3306A 6.012680 3307A 6.014843
1632 3308A 6.016949 3309A 6.018858 3310A 6.023057
1633 3311A 6.026809 3312A 6.030312 3313A 6.031656
1634 3314A 6.035100 3315A 6.038099 3316A 6.041808
1635 3317A 6.047582 3318A 6.048912 3319A 6.051963
1636 3320A 6.053960 3321A 6.054722 3322A 6.061853
1637 3323A 6.064611 3324A 6.070919 3325A 6.074921
1638 3326A 6.075678 3327A 6.079356 3328A 6.091027
1639 3329A 6.091812 3330A 6.097055 3331A 6.099959
1640 3332A 6.104345 3333A 6.105641 3334A 6.106062
1641 3335A 6.113298 3336A 6.117520 3337A 6.119940
1642 3338A 6.122425 3339A 6.123623 3340A 6.125296
1643 3341A 6.128401 3342A 6.130671 3343A 6.132378
1644 3344A 6.136995 3345A 6.137548 3346A 6.139370
1645 3347A 6.140440 3348A 6.141577 3349A 6.144960
1646 3350A 6.145798 3351A 6.149166 3352A 6.150701
1647 3353A 6.157261 3354A 6.159371 3355A 6.161206
1648 3356A 6.162799 3357A 6.165239 3358A 6.166175
1649 3359A 6.170171 3360A 6.174576 3361A 6.175468
1650 3362A 6.179007 3363A 6.181159 3364A 6.182688
1651 3365A 6.186226 3366A 6.187867 3367A 6.191578
1652 3368A 6.193838 3369A 6.196588 3370A 6.198941
1653 3371A 6.200307 3372A 6.201672 3373A 6.207461
1654 3374A 6.208988 3375A 6.214831 3376A 6.216050
1655 3377A 6.221428 3378A 6.224915 3379A 6.228894
1656 3380A 6.231109 3381A 6.233108 3382A 6.234487
1657 3383A 6.238430 3384A 6.244238 3385A 6.245227
1658 3386A 6.246354 3387A 6.251762 3388A 6.252789
1659 3389A 6.256856 3390A 6.258926 3391A 6.261629
1660 3392A 6.264976 3393A 6.267791 3394A 6.271845
1661 3395A 6.274967 3396A 6.276138 3397A 6.278097
1662 3398A 6.283838 3399A 6.285011 3400A 6.288161
1663 3401A 6.291622 3402A 6.294320 3403A 6.295024
1664 3404A 6.299267 3405A 6.305847 3406A 6.308999
1665 3407A 6.314448 3408A 6.316482 3409A 6.317930
1666 3410A 6.322306 3411A 6.324207 3412A 6.326036
1667 3413A 6.327416 3414A 6.332739 3415A 6.335894
1668 3416A 6.337227 3417A 6.340306 3418A 6.344681
1669 3419A 6.344957 3420A 6.349546 3421A 6.350938
1670 3422A 6.353013 3423A 6.354559 3424A 6.355310
1671 3425A 6.363416 3426A 6.366324 3427A 6.369036
1672 3428A 6.371849 3429A 6.373194 3430A 6.377214
1673 3431A 6.380823 3432A 6.381721 3433A 6.386625
1674 3434A 6.389204 3435A 6.392920 3436A 6.395401
1675 3437A 6.397459 3438A 6.401253 3439A 6.404608
1676 3440A 6.406976 3441A 6.410210 3442A 6.412627
1677 3443A 6.418888 3444A 6.420962 3445A 6.426293
1678 3446A 6.427574 3447A 6.429101 3448A 6.433640
1679 3449A 6.435906 3450A 6.438546 3451A 6.442164
1680 3452A 6.447120 3453A 6.450222 3454A 6.456997
1681 3455A 6.461400 3456A 6.463805 3457A 6.468628
1682 3458A 6.470410 3459A 6.474810 3460A 6.481183
1683 3461A 6.483168 3462A 6.487582 3463A 6.490306
1684 3464A 6.491968 3465A 6.495257 3466A 6.499447
1685 3467A 6.505819 3468A 6.507905 3469A 6.512600
1686 3470A 6.522500 3471A 6.524710 3472A 6.527184
1687 3473A 6.529993 3474A 6.540227 3475A 6.547055
1688 3476A 6.552224 3477A 6.555938 3478A 6.558845
1689 3479A 6.561593 3480A 6.573158 3481A 6.578038
1690 3482A 6.581441 3483A 6.584670 3484A 6.586368
1691 3485A 6.589225 3486A 6.592795 3487A 6.593286
1692 3488A 6.595141 3489A 6.597452 3490A 6.597993
1693 3491A 6.603997 3492A 6.606792 3493A 6.609854
1694 3494A 6.613207 3495A 6.614466 3496A 6.621223
1695 3497A 6.623011 3498A 6.624462 3499A 6.628792
1696 3500A 6.635915 3501A 6.637027 3502A 6.640687
1697 3503A 6.646306 3504A 6.657469 3505A 6.660404
1698 3506A 6.662420 3507A 6.667837 3508A 6.674744
1699 3509A 6.679399 3510A 6.681124 3511A 6.683473
1700 3512A 6.686212 3513A 6.687107 3514A 6.692506
1701 3515A 6.695958 3516A 6.697380 3517A 6.702645
1702 3518A 6.704803 3519A 6.709123 3520A 6.710459
1703 3521A 6.724308 3522A 6.857054 3523A 6.862799
1704 3524A 6.867052 3525A 6.867858 3526A 6.872968
1705 3527A 6.878160 3528A 6.882256 3529A 6.884103
1706 3530A 6.888531 3531A 6.890403 3532A 6.890995
1707 3533A 6.892574 3534A 6.894612 3535A 6.899022
1708 3536A 6.901371 3537A 6.904242 3538A 6.907033
1709 3539A 6.909461 3540A 6.912967 3541A 6.915360
1710 3542A 6.916048 3543A 6.920048 3544A 6.922626
1711 3545A 6.925925 3546A 6.929205 3547A 6.931959
1712 3548A 6.939217 3549A 6.948901 3550A 6.957007
1713 3551A 7.065398 3552A 7.076157 3553A 7.083851
1714 3554A 7.088717 3555A 7.095675 3556A 7.103849
1715 3557A 7.122609 3558A 7.123403 3559A 7.129859
1716 3560A 7.147283 3561A 7.151223 3562A 7.169609
1717 3563A 7.187023 3564A 7.190006 3565A 7.207696
1718 3566A 7.322592 3567A 7.357058 3568A 7.360967
1719 3569A 7.362269 3570A 7.365925 3571A 7.368577
1720 3572A 7.372567 3573A 7.374864 3574A 7.376828
1721 3575A 7.380156 3576A 7.384008 3577A 7.387326
1722 3578A 7.389269 3579A 7.391754 3580A 7.393945
1723 3581A 7.394181 3582A 7.397488 3583A 7.398513
1724 3584A 7.399146 3585A 7.404032 3586A 7.406005
1725 3587A 7.408183 3588A 7.410625 3589A 7.415956
1726 3590A 7.418001 3591A 7.420804 3592A 7.431341
1727 3593A 7.437293 3594A 7.440596 3595A 7.546022
1728 3596A 7.552946 3597A 7.553443 3598A 7.559427
1729 3599A 7.564975 3600A 7.567880 3601A 7.570040
1730 3602A 7.573031 3603A 7.580739 3604A 7.583245
1731 3605A 7.584717 3606A 7.587705 3607A 7.590472
1732 3608A 7.601843 3609A 7.632111 3610A 7.649083
1733 3611A 7.655927 3612A 7.660334 3613A 7.668926
1734 3614A 7.673886 3615A 7.681375 3616A 7.683186
1735 3617A 7.686226 3618A 7.693817 3619A 7.698190
1736 3620A 7.702425 3621A 7.705905 3622A 7.722943
1737 3623A 9.230718 3624A 10.133012 3625A 10.210583
1738 3626A 10.247542 3627A 10.263338 3628A 10.353973
1739 3629A 10.375612 3630A 10.418155 3631A 10.478773
1740 3632A 10.539455 3633A 10.625767 3634A 10.628066
1741 3635A 10.720155 3636A 10.760839 3637A 10.805404
1742 3638A 11.724958 3639A 11.792469 3640A 11.922017
1743 3641A 12.043764 3642A 12.084672 3643A 12.180751
1744 3644A 12.235043 3645A 12.260797 3646A 12.278693
1745 3647A 12.295960 3648A 12.302950 3649A 12.331082
1746 3650A 12.360059 3651A 12.365401 3652A 12.381629
1747 3653A 12.395666 3654A 12.405478 3655A 12.423749
1748 3656A 12.430963 3657A 12.441069 3658A 12.447959
1749 3659A 12.471309 3660A 12.509005 3661A 12.517414
1750 3662A 12.562922 3663A 12.573203 3664A 12.593933
1751 3665A 12.606768 3666A 12.645326 3667A 12.658423
1752 3668A 12.885355 3669A 12.969203 3670A 13.000616
1753 3671A 13.016881 3672A 13.068862 3673A 13.129273
1754 3674A 13.164070 3675A 13.247546 3676A 13.359778
1755 3677A 13.376628 3678A 13.497174 3679A 13.504259
1756 3680A 13.531336 3681A 13.563108 3682A 13.636434
1757 3683A 13.657672 3684A 13.698330 3685A 13.716683
1758 3686A 13.728362 3687A 13.753996 3688A 13.775870
1759 3689A 13.782134 3690A 13.822659 3691A 13.844644
1760 3692A 13.853484 3693A 13.880456 3694A 13.886654
1761 3695A 13.901597 3696A 13.926694 3697A 13.947084
1762 3698A 13.964277 3699A 14.005406 3700A 14.021490
1763 3701A 14.102662 3702A 14.116039 3703A 14.125939
1764 3704A 14.141323 3705A 14.145791 3706A 14.171921
1765 3707A 14.196426 3708A 14.207423 3709A 14.228755
1766 3710A 14.264345 3711A 14.273818 3712A 14.283683
1767 3713A 14.305825 3714A 14.320302 3715A 14.377897
1768 3716A 14.399342 3717A 14.622680 3718A 16.007777
1769
1770 Final Occupation by Irrep:
1771 A
1772 DOCC [ 361 ]
1773 NA [ 361 ]
1774 NB [ 361 ]
1775
1776 @DF-RHF Final Energy: -5603.52095190724776
1777
1778 => Energetics <=
1779
1780 Nuclear Repulsion Energy = 24530.2554493158131663
1781 One-Electron Energy = -56579.4633116866607452
1782 Two-Electron Energy = 26445.6869104635989061
1783 Total Energy = -5603.5209519072486728
1784
1785Computation Completed
1786
1787
1788Properties will be evaluated at 0.000000, 0.000000, 0.000000 [a0]
1789
1790Properties computed using the SCF density matrix
1791
1792
1793 Multipole Moments:
1794
1795 ------------------------------------------------------------------------------------
1796 Multipole Electronic (a.u.) Nuclear (a.u.) Total (a.u.)
1797 ------------------------------------------------------------------------------------
1798
1799 L = 1. Multiply by 2.5417464519 to convert [e a0] to [Debye]
1800 Dipole X : 20.1406659 -24.1554048 -4.0147389
1801 Dipole Y : 10.0199544 -11.8699358 -1.8499814
1802 Dipole Z : 11.2529328 -12.7695603 -1.5166275
1803 Magnitude : 4.6734055
1804
1805 ------------------------------------------------------------------------------------
1806
1807*** tstop() called on ac0111 at Sat Oct 11 10:53:35 2025
1808Module time:
1809 user time = 59420.43 seconds = 990.34 minutes
1810 system time = 1459.91 seconds = 24.33 minutes
1811 total time = 3891 seconds = 64.85 minutes
1812Total time:
1813 user time = 59420.43 seconds = 990.34 minutes
1814 system time = 1459.91 seconds = 24.33 minutes
1815 total time = 3891 seconds = 64.85 minutes
1816
1817 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
1818 // Monomer A HF (Dimer Basis) //
1819 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
1820
1821 => Libint2 <=
1822
1823 Primary basis highest AM E, G, H: 5, 4, 3
1824 Auxiliary basis highest AM E, G, H: 6, 5, 4
1825 Onebody basis highest AM E, G, H: 6, 5, 4
1826 Solid Harmonics ordering: gaussian
1827
1828*** tstart() called on ac0111
1829*** at Sat Oct 11 10:53:35 2025
1830
1831 => Loading Basis Set <=
1832
1833 Name: CC-PVTZ
1834 Role: ORBITAL
1835 Keyword: BASIS
1836 atoms 1-28, 127-128 entry N line 224 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
1837 atoms 29-70, 129-138 entry C line 186 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
1838 atoms 71-84 entry O line 262 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
1839 atoms 85-126, 141-153 entry H line 23 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
1840 atoms 139-140 entry Cl line 847 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
1841
1842
1843 ---------------------------------------------------------
1844 SCF
1845 by Justin Turney, Rob Parrish, Andy Simmonett
1846 and Daniel G. A. Smith
1847 RHF Reference
1848 24 Threads, 71525 MiB Core
1849 ---------------------------------------------------------
1850
1851 ==> Geometry <==
1852
1853 Molecular point group: c1
1854 Full point group: C1
1855
1856 Geometry (in Angstrom), charge = 0, multiplicity = 1:
1857
1858 Center X Y Z Mass
1859 ------------ ----------------- ----------------- ----------------- -----------------
1860 N -5.007390768128 2.188446201888 -0.240442583466 14.003074004430
1861 N -0.473958290276 2.694695558639 -4.752523215774 14.003074004430
1862 N -1.270561110325 -0.723023165998 4.236842391910 14.003074004430
1863 N -4.212667410899 4.011111301675 1.208875827286 14.003074004430
1864 N 0.689827661080 -2.138645748723 4.028324861724 14.003074004430
1865 N 2.557959976340 2.468804280887 -3.165659027361 14.003074004430
1866 N -4.040218693872 3.235209296147 -2.197115204064 14.003074004430
1867 N 0.713818323643 3.697341800498 -2.840046279402 14.003074004430
1868 N -0.718482776293 -4.006852204761 3.295971490658 14.003074004430
1869 N -1.327778162508 4.676938497559 -1.997882239108 14.003074004430
1870 N 1.031082726422 1.059568990323 -4.462714592142 14.003074004430
1871 N 4.999001799755 -1.238038315482 -1.869048375819 14.003074004430
1872 N -5.244108047818 0.770155846240 1.465492716036 14.003074004430
1873 N -3.902896667489 2.396040496249 2.730902449783 14.003074004430
1874 N -2.692328450913 -2.576464884940 3.478958176203 14.003074004430
1875 N 2.600105922514 -3.256731866456 3.650442475420 14.003074004430
1876 N 5.304928699654 -2.878427234120 -0.054913865620 14.003074004430
1877 N -2.962439647658 0.749629713248 4.263108064653 14.003074004430
1878 N 2.853669668882 -5.175784024345 0.612152115535 14.003074004430
1879 N 4.051156262380 0.587678220769 -2.745838663373 14.003074004430
1880 N 4.180805410474 -3.460788653659 1.790938381485 14.003074004430
1881 N 1.151609707659 -4.712759391596 2.294006270680 14.003074004430
1882 N 3.508307802836 -4.075251527017 -1.220512593906 14.003074004430
1883 N 2.521934450983 -0.803041562313 -4.035567152135 14.003074004430
1884 N -2.571082669762 3.601314195729 -3.836086755352 14.003074004430
1885 N 3.459209448521 -2.635101452370 -3.182132650685 14.003074004430
1886 N -3.985468131133 -0.900797213253 2.737993302371 14.003074004430
1887 N -3.151373173640 5.035247334548 -0.755987051122 14.003074004430
1888 C 1.909016850864 3.282643672146 -2.260325919031 12.000000000000
1889 C 0.699620010646 3.377951291191 -4.268381478370 12.000000000000
1890 C 1.799468231702 2.304715454634 -4.380377410262 12.000000000000
1891 C 2.059720500841 -1.999346104670 3.827925393577 12.000000000000
1892 C -5.058626662300 0.851654501518 0.101475804610 12.000000000000
1893 C -3.612302674737 -0.525437606837 4.110153594667 12.000000000000
1894 C -0.283789262197 1.329440859609 -4.820043260231 12.000000000000
1895 C -2.485560498276 -1.524291821714 4.439855737274 12.000000000000
1896 C -1.587118790367 0.630791062151 4.250640628033 12.000000000000
1897 C -3.474636580033 2.687826428644 -3.330824212616 12.000000000000
1898 C 0.054425253896 4.896275676437 -2.362658290060 12.000000000000
1899 C 4.903752496223 -2.444556951859 1.194904982896 12.000000000000
1900 C -3.629823680382 2.017292927126 4.107206606702 12.000000000000
1901 C 3.899550222157 -0.408113808574 -3.790689384594 12.000000000000
1902 C -5.216369184691 2.646547701887 -1.597772973104 12.000000000000
1903 C -3.668135134028 4.643647009511 -2.045527307562 12.000000000000
1904 C -2.427347566821 4.742863772047 -2.965030002251 12.000000000000
1905 C -2.126069776535 -3.899959054649 3.598614625857 12.000000000000
1906 C -1.770557036333 4.999087584150 -0.729149916007 12.000000000000
1907 C 3.562184570985 -3.973098358188 -2.667681242683 12.000000000000
1908 C -0.231271124122 -4.666614344409 2.188925198275 12.000000000000
1909 C 4.163400970566 -4.666591917496 0.965287496185 12.000000000000
1910 C -1.751561651036 3.329760391225 -4.996911218468 12.000000000000
1911 C -5.266018804348 -0.479937897891 2.182009455558 12.000000000000
1912 C 3.966753724551 -3.467775978765 3.225447904849 12.000000000000
1913 C 3.916389578446 2.005900994844 -2.995940099552 12.000000000000
1914 C 4.710909934655 -4.153341403567 -0.393948554050 12.000000000000
1915 C -3.425604481928 3.614668701658 2.268408041755 12.000000000000
1916 C 4.726675173101 0.097225140986 -1.646814519393 12.000000000000
1917 C 2.273596038150 -2.098260538297 -3.628719969913 12.000000000000
1918 C -0.009234966780 -1.143643337743 4.818918481524 12.000000000000
1919 C -5.253160857904 3.051747496115 0.908950585020 12.000000000000
1920 C -3.533775261478 -2.187628347651 2.459774126419 12.000000000000
1921 C -5.181820684029 2.066975395262 2.101764931218 12.000000000000
1922 C 0.337890804505 -3.554403223854 4.167853234877 12.000000000000
1923 C 4.551471011806 -1.681548346705 -3.177895685897 12.000000000000
1924 C 1.671917375495 -0.134111962655 -4.988408016960 12.000000000000
1925 C 2.436147117116 -4.700391281820 -0.614315760431 12.000000000000
1926 C -3.943850423898 5.210487996482 0.442583997970 12.000000000000
1927 C 5.909054492130 -1.984597498683 -1.022418427570 12.000000000000
1928 C 1.899417161285 -5.711507222019 1.552895800832 12.000000000000
1929 C 1.585816011911 -4.280435775905 3.621768712239 12.000000000000
1930 O 2.324055841064 3.602074343968 -1.147953953292 15.994914619570
1931 O -0.785793924109 1.563485865855 4.278430568646 15.994914619570
1932 O -1.123825191149 0.498871416289 -5.165567984703 15.994914619570
1933 O 2.688004125207 -0.942205911701 3.841799904744 15.994914619570
1934 O 5.193754523702 -1.365117171020 1.710789188278 15.994914619570
1935 O 5.063333731121 0.749153385883 -0.657702077668 15.994914619570
1936 O -3.753671633024 1.597477358022 -3.830995213465 15.994914619570
1937 O -4.992097205346 -0.103635134824 -0.678574866410 15.994914619570
1938 O -3.854145949089 -2.870249028173 1.485277673594 15.994914619570
1939 O 1.314309052502 -4.851762427863 -1.099914710628 15.994914619570
1940 O -0.905052011426 -5.156815341430 1.282846662589 15.994914619570
1941 O 1.192908416153 -2.687062290731 -3.708446394064 15.994914619570
1942 O -2.485028768255 4.243843136803 2.750965947949 15.994914619570
1943 O -1.061234626101 5.248719711046 0.244884035177 15.994914619570
1944 H 0.634741248927 -0.257682942765 4.879787678203 1.007825032230
1945 H -0.191413705220 -1.545976244927 5.833182459662 1.007825032230
1946 H 0.888517765470 4.286443369086 -4.862609200507 1.007825032230
1947 H 2.451005335790 2.413656417750 -5.263053820389 1.007825032230
1948 H -6.223295671004 3.561467161029 0.798126874195 1.007825032230
1949 H -4.489545140451 -0.598179784233 4.772319728203 1.007825032230
1950 H -6.001492193201 2.178912663232 2.829175796672 1.007825032230
1951 H -2.516902719416 -1.922163827071 5.467042705891 1.007825032230
1952 H 4.370283082618 -0.064029313115 -4.725854819965 1.007825032230
1953 H -4.504919251436 5.296431373524 -2.339489857555 1.007825032230
1954 H -2.370304888560 5.672647211918 -3.552632369793 1.007825032230
1955 H 0.101119678484 -3.789021776266 5.218486064322 1.007825032230
1956 H 4.772437395966 -5.456908225604 1.430002982672 1.007825032230
1957 H 5.404077387027 -2.076758721879 -3.752493623161 1.007825032230
1958 H 0.109894049137 5.675647436952 -3.143455631521 1.007825032230
1959 H 5.453549063571 -4.818268202049 -0.861495949654 1.007825032230
1960 H -2.980280404084 2.788429426269 4.538918307513 1.007825032230
1961 H -4.577446667429 1.973090344116 4.666738884392 1.007825032230
1962 H -5.499462174531 1.782220404284 -2.211778002569 1.007825032230
1963 H -6.035779427277 3.385498175301 -1.596141212870 1.007825032230
1964 H 1.898878809664 -5.152063967673 4.218423810922 1.007825032230
1965 H -2.284740027465 -4.243391925910 4.632968716763 1.007825032230
1966 H -2.663093882090 -4.557406482413 2.903880705228 1.007825032230
1967 H 4.512370701842 -4.409786897502 -3.014393240707 1.007825032230
1968 H 2.721371353618 -4.547156036303 -3.077946392784 1.007825032230
1969 H -1.565729183681 4.284741864617 -5.508821686292 1.007825032230
1970 H -2.322410977266 2.665072692289 -5.657016881890 1.007825032230
1971 H -5.997796284072 -0.388443340655 3.001282409007 1.007825032230
1972 H -5.594213339047 -1.257653363856 1.481711040845 1.007825032230
1973 H 4.300888554941 -4.434031431457 3.633144639867 1.007825032230
1974 H 4.572747399686 -2.658441958617 3.652250382458 1.007825032230
1975 H 2.279503161099 0.136032796422 -5.871329833074 1.007825032230
1976 H 0.878008480228 -0.830362238454 -5.284566132121 1.007825032230
1977 H 4.344562421336 2.532452769455 -2.133889296407 1.007825032230
1978 H 4.479837673979 2.262489651601 -3.909158188015 1.007825032230
1979 H -4.903320369620 5.660860998215 0.152330870348 1.007825032230
1980 H -3.400889094508 5.898857639603 1.102206148354 1.007825032230
1981 H 6.569623489680 -2.580966507175 -1.669046315437 1.007825032230
1982 H 6.507011066229 -1.258176850728 -0.457480977125 1.007825032230
1983 H 2.442444260130 -6.358630789983 2.258192806404 1.007825032230
1984 H 1.177380024560 -6.312383505729 0.986233476739 1.007825032230
1985 H 0.580803041265 5.234377226497 -1.460896102340 1.007825032230
1986 Gh(N) -2.763967726341 -2.115281967028 -1.619416895151 14.003074004430
1987 Gh(N) -0.568469008506 -0.476026026414 -0.761142979916 14.003074004430
1988 Gh(C) -0.401474427098 1.662429154986 0.509457621015 12.000000000000
1989 Gh(C) -2.326836415585 -0.917155071994 -2.401926454598 12.000000000000
1990 Gh(C) -1.731544506181 0.093220901306 -1.444758722167 12.000000000000
1991 Gh(C) 0.137744135983 0.442879486522 0.055382530328 12.000000000000
1992 Gh(C) 1.452954306018 0.136075401307 0.465542106439 12.000000000000
1993 Gh(C) 1.607769589110 2.152249853177 1.739792496594 12.000000000000
1994 Gh(C) -1.000695014571 -1.661538654145 0.013160377714 12.000000000000
1995 Gh(C) 0.322300934305 2.517166924726 1.344894693617 12.000000000000
1996 Gh(C) 2.198979242032 0.968028666662 1.298363904300 12.000000000000
1997 Gh(C) -1.606362815926 -2.714007750232 -0.885924001489 12.000000000000
1998 Gh(Cl) 2.518588756771 3.209473141512 2.804157513583 34.968852682000
1999 Gh(Cl) 2.200817910951 -1.346240068510 -0.092063036135 34.968852682000
2000 Gh(H) -1.420215167048 0.985032205442 -2.008141181389 1.007825032230
2001 Gh(H) -2.516135441654 0.389001117480 -0.721115861688 1.007825032230
2002 Gh(H) -3.189009224495 -2.811419433123 -2.244360407141 1.007825032230
2003 Gh(H) -3.492277760604 -1.823255342864 -0.942392969534 1.007825032230
2004 Gh(H) -1.416181800995 1.954440096016 0.224217481567 1.007825032230
2005 Gh(H) -0.128383240059 3.444918612189 1.697283993675 1.007825032230
2006 Gh(H) 3.210941742845 0.687837146437 1.590633283765 1.007825032230
2007 Gh(H) -1.742246596497 -1.351090285179 0.774739014830 1.007825032230
2008 Gh(H) -0.144027438166 -2.107191535779 0.533470319231 1.007825032230
2009 Gh(H) -1.592413553033 -1.267662558768 -3.140716483482 1.007825032230
2010 Gh(H) -3.203415835776 -0.499620099127 -2.908687598284 1.007825032230
2011 Gh(H) -0.890308520797 -3.062850081335 -1.643490740026 1.007825032230
2012 Gh(H) -1.972735979727 -3.561796768552 -0.295918702343 1.007825032230
2013
2014 Running in c1 symmetry.
2015
2016 Rotational constants: A = 0.00089 B = 0.00071 C = 0.00054 [cm^-1]
2017 Rotational constants: A = 26.78642 B = 21.25616 C = 16.15042 [MHz]
2018 Nuclear repulsion = 16791.544822834468505
2019
2020 Charge = 0
2021 Multiplicity = 1
2022 Electrons = 602
2023 Nalpha = 301
2024 Nbeta = 301
2025
2026 ==> Algorithm <==
2027
2028 SCF Algorithm Type is DF.
2029 DIIS enabled.
2030 MOM disabled.
2031 Fractional occupation disabled.
2032 Guess Type is SAD.
2033 Energy threshold = 1.00e-08
2034 Density threshold = 1.00e-08
2035 Integral threshold = 1.00e-12
2036
2037 ==> Primary Basis <==
2038
2039 Basis Set: CC-PVTZ
2040 Blend: CC-PVTZ
2041 Number of shells: 1314
2042 Number of basis functions: 3718
2043 Number of Cartesian functions: 4263
2044 Spherical Harmonics?: true
2045 Max angular momentum: 3
2046
2047 => Loading Basis Set <=
2048
2049 Name: (CC-PVTZ AUX)
2050 Role: JKFIT
2051 Keyword: DF_BASIS_SCF
2052 atoms 1-28, 127-128 entry N line 177 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
2053 atoms 29-70, 129-138 entry C line 125 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
2054 atoms 71-84 entry O line 229 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
2055 atoms 85-126, 141-153 entry H line 51 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
2056 atoms 139-140 entry Cl line 689 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
2057
2058 ==> Integral Setup <==
2059
2060 ==> DiskDFJK: Density-Fitted J/K Matrices <==
2061
2062 J tasked: Yes
2063 K tasked: Yes
2064 wK tasked: No
2065 OpenMP threads: 24
2066 Integrals threads: 24
2067 Memory [MiB]: 53644
2068 Algorithm: Disk
2069 Integral Cache: LOAD
2070 Schwarz Cutoff: 1E-12
2071 Fitting Condition: 1E-10
2072
2073 => Auxiliary Basis Set <=
2074
2075 Basis Set: (CC-PVTZ AUX)
2076 Blend: CC-PVTZ-JKFIT
2077 Number of shells: 3024
2078 Number of basis functions: 9476
2079 Number of Cartesian functions: 11431
2080 Spherical Harmonics?: true
2081 Max angular momentum: 4
2082
2083 Minimum eigenvalue in the overlap matrix is 1.9560472340E-05.
2084 Reciprocal condition number of the overlap matrix is 2.0538733882E-06.
2085 Using symmetric orthogonalization.
2086
2087 ==> Pre-Iterations <==
2088
2089 SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF (no occupation information).
2090
2091 -------------------------
2092 Irrep Nso Nmo
2093 -------------------------
2094 A 3718 3718
2095 -------------------------
2096 Total 3718 3718
2097 -------------------------
2098
2099 ==> Iterations <==
2100
2101 Total Energy Delta E RMS |[F,P]|
2102
2103 @DF-RHF iter SAD: -4195.53540219760725 -4.19554e+03 0.00000e+00
2104 @DF-RHF iter 1: -4187.26727389379084 8.26813e+00 5.60129e-04 DIIS/ADIIS
2105 @DF-RHF iter 2: -4188.47279987139882 -1.20553e+00 4.09629e-04 DIIS/ADIIS
2106 @DF-RHF iter 3: -4189.27237116017204 -7.99571e-01 7.53720e-05 DIIS
2107 @DF-RHF iter 4: -4189.31445707401963 -4.20859e-02 3.11018e-05 DIIS
2108 @DF-RHF iter 5: -4189.32098244862573 -6.52537e-03 6.35766e-06 DIIS
2109 @DF-RHF iter 6: -4189.32158245840583 -6.00010e-04 2.68497e-06 DIIS
2110 @DF-RHF iter 7: -4189.32169798485575 -1.15526e-04 1.03399e-06 DIIS
2111 @DF-RHF iter 8: -4189.32171332489361 -1.53400e-05 4.24844e-07 DIIS
2112 @DF-RHF iter 9: -4189.32171607011423 -2.74522e-06 1.41212e-07 DIIS
2113 @DF-RHF iter 10: -4189.32171641225432 -3.42140e-07 5.82007e-08 DIIS
2114 @DF-RHF iter 11: -4189.32171645823109 -4.59768e-08 2.11055e-08 DIIS
2115 @DF-RHF iter 12: -4189.32171646281586 -4.58476e-09 7.43485e-09 DIIS
2116 Energy and wave function converged.
2117
2118
2119 ==> Post-Iterations <==
2120
2121 Orbital Energies [Eh]
2122 ---------------------
2123
2124 Doubly Occupied:
2125
2126 1A -20.510557 2A -20.509802 3A -20.509598
2127 4A -20.509214 5A -20.508498 6A -20.508156
2128 7A -20.507971 8A -20.507791 9A -20.507567
2129 10A -20.507100 11A -20.507061 12A -20.506921
2130 13A -20.506771 14A -20.505300 15A -15.598768
2131 16A -15.598576 17A -15.597778 18A -15.597761
2132 19A -15.597617 20A -15.597200 21A -15.596983
2133 22A -15.596855 23A -15.596694 24A -15.596511
2134 25A -15.596176 26A -15.595792 27A -15.595676
2135 28A -15.595644 29A -15.594571 30A -15.594175
2136 31A -15.594100 32A -15.594030 33A -15.593896
2137 34A -15.593880 35A -15.593785 36A -15.593483
2138 37A -15.593321 38A -15.593098 39A -15.592823
2139 40A -15.592746 41A -15.591642 42A -15.591052
2140 43A -11.378987 44A -11.378484 45A -11.377976
2141 46A -11.377610 47A -11.377258 48A -11.377167
2142 49A -11.377098 50A -11.377069 51A -11.377016
2143 52A -11.376864 53A -11.376814 54A -11.376671
2144 55A -11.375800 56A -11.374517 57A -11.347249
2145 58A -11.346948 59A -11.346394 60A -11.345713
2146 61A -11.345624 62A -11.345568 63A -11.345355
2147 64A -11.344350 65A -11.343204 66A -11.342507
2148 67A -11.342453 68A -11.342158 69A -11.341813
2149 70A -11.341096 71A -11.327162 72A -11.325794
2150 73A -11.325261 74A -11.323180 75A -11.322414
2151 76A -11.320946 77A -11.320322 78A -11.320089
2152 79A -11.318962 80A -11.318558 81A -11.318405
2153 82A -11.314650 83A -11.314382 84A -11.311845
2154 85A -1.417194 86A -1.414922 87A -1.413707
2155 88A -1.407260 89A -1.406918 90A -1.400303
2156 91A -1.399921 92A -1.390437 93A -1.388885
2157 94A -1.387833 95A -1.383653 96A -1.383275
2158 97A -1.379205 98A -1.378673 99A -1.322655
2159 100A -1.322140 101A -1.320883 102A -1.318870
2160 103A -1.318254 104A -1.313455 105A -1.312709
2161 106A -1.289963 107A -1.289718 108A -1.276031
2162 109A -1.273730 110A -1.273711 111A -1.268097
2163 112A -1.267966 113A -1.265043 114A -1.264129
2164 115A -1.256284 116A -1.255525 117A -1.237615
2165 118A -1.235905 119A -1.234818 120A -1.232112
2166 121A -1.219535 122A -1.206138 123A -1.205906
2167 124A -1.173963 125A -1.173295 126A -1.156141
2168 127A -1.077473 128A -1.060461 129A -1.057693
2169 130A -1.025871 131A -1.025536 132A -1.014612
2170 133A -1.004139 134A -1.003748 135A -0.992268
2171 136A -0.989838 137A -0.983466 138A -0.980106
2172 139A -0.978842 140A -0.969383 141A -0.968425
2173 142A -0.962161 143A -0.960495 144A -0.940493
2174 145A -0.939493 146A -0.891486 147A -0.890946
2175 148A -0.885163 149A -0.884940 150A -0.880102
2176 151A -0.879291 152A -0.874462 153A -0.867862
2177 154A -0.867350 155A -0.820279 156A -0.820130
2178 157A -0.799255 158A -0.798561 159A -0.792197
2179 160A -0.789375 161A -0.787366 162A -0.786269
2180 163A -0.783797 164A -0.783196 165A -0.781615
2181 166A -0.781059 167A -0.780586 168A -0.779166
2182 169A -0.753396 170A -0.752445 171A -0.746026
2183 172A -0.744857 173A -0.742760 174A -0.739090
2184 175A -0.734025 176A -0.733457 177A -0.722753
2185 178A -0.720922 179A -0.715131 180A -0.713202
2186 181A -0.712525 182A -0.711153 183A -0.709504
2187 184A -0.706454 185A -0.705443 186A -0.702620
2188 187A -0.700737 188A -0.693671 189A -0.693046
2189 190A -0.691613 191A -0.686080 192A -0.673084
2190 193A -0.672440 194A -0.656694 195A -0.655091
2191 196A -0.654145 197A -0.652370 198A -0.651485
2192 199A -0.648644 200A -0.647990 201A -0.646401
2193 202A -0.640893 203A -0.639907 204A -0.637716
2194 205A -0.637061 206A -0.635689 207A -0.633596
2195 208A -0.628640 209A -0.627250 210A -0.626576
2196 211A -0.626093 212A -0.619481 213A -0.619255
2197 214A -0.618002 215A -0.617470 216A -0.616828
2198 217A -0.615496 218A -0.613907 219A -0.613026
2199 220A -0.605897 221A -0.604254 222A -0.602673
2200 223A -0.601783 224A -0.599588 225A -0.598776
2201 226A -0.596434 227A -0.595182 228A -0.593845
2202 229A -0.592473 230A -0.581360 231A -0.580233
2203 232A -0.578416 233A -0.575621 234A -0.575220
2204 235A -0.571517 236A -0.571203 237A -0.569470
2205 238A -0.568702 239A -0.566619 240A -0.565731
2206 241A -0.563207 242A -0.562608 243A -0.561192
2207 244A -0.560044 245A -0.559234 246A -0.541800
2208 247A -0.540959 248A -0.537321 249A -0.536684
2209 250A -0.535865 251A -0.534882 252A -0.534282
2210 253A -0.532800 254A -0.531752 255A -0.527885
2211 256A -0.526497 257A -0.524812 258A -0.522554
2212 259A -0.521620 260A -0.469821 261A -0.467099
2213 262A -0.456116 263A -0.453521 264A -0.442020
2214 265A -0.440313 266A -0.439626 267A -0.438898
2215 268A -0.438352 269A -0.437470 270A -0.435326
2216 271A -0.434783 272A -0.431842 273A -0.430924
2217 274A -0.420965 275A -0.419533 276A -0.415783
2218 277A -0.414005 278A -0.412199 279A -0.410079
2219 280A -0.408967 281A -0.408096 282A -0.406845
2220 283A -0.405713 284A -0.405249 285A -0.403733
2221 286A -0.402362 287A -0.401683 288A -0.400703
2222 289A -0.399639 290A -0.399204 291A -0.398753
2223 292A -0.397526 293A -0.397382 294A -0.396310
2224 295A -0.394770 296A -0.393175 297A -0.392145
2225 298A -0.390032 299A -0.389265 300A -0.388906
2226 301A -0.387795
2227
2228 Virtual:
2229
2230 302A 0.102775 303A 0.104584 304A 0.106355
2231 305A 0.111742 306A 0.112721 307A 0.120191
2232 308A 0.121283 309A 0.121471 310A 0.133877
2233 311A 0.134128 312A 0.148885 313A 0.149525
2234 314A 0.152464 315A 0.156007 316A 0.158548
2235 317A 0.163716 318A 0.169002 319A 0.170336
2236 320A 0.171266 321A 0.172499 322A 0.173755
2237 323A 0.178044 324A 0.179160 325A 0.181529
2238 326A 0.184102 327A 0.194433 328A 0.196090
2239 329A 0.197117 330A 0.200376 331A 0.200746
2240 332A 0.201571 333A 0.202549 334A 0.205554
2241 335A 0.208636 336A 0.211412 337A 0.211656
2242 338A 0.213077 339A 0.214129 340A 0.214799
2243 341A 0.216910 342A 0.217830 343A 0.218228
2244 344A 0.219177 345A 0.220490 346A 0.221551
2245 347A 0.222893 348A 0.223446 349A 0.225252
2246 350A 0.226779 351A 0.227959 352A 0.228100
2247 353A 0.230293 354A 0.230864 355A 0.232117
2248 356A 0.234117 357A 0.235859 358A 0.237931
2249 359A 0.238877 360A 0.241311 361A 0.242505
2250 362A 0.243148 363A 0.245577 364A 0.249022
2251 365A 0.250605 366A 0.251009 367A 0.252091
2252 368A 0.255643 369A 0.256542 370A 0.258813
2253 371A 0.262429 372A 0.263467 373A 0.265664
2254 374A 0.267237 375A 0.268028 376A 0.269746
2255 377A 0.270118 378A 0.273614 379A 0.275933
2256 380A 0.278668 381A 0.280361 382A 0.284615
2257 383A 0.285193 384A 0.288565 385A 0.289329
2258 386A 0.296196 387A 0.297127 388A 0.298307
2259 389A 0.299381 390A 0.302714 391A 0.304303
2260 392A 0.308429 393A 0.311465 394A 0.313950
2261 395A 0.316112 396A 0.318845 397A 0.321308
2262 398A 0.321890 399A 0.322079 400A 0.325857
2263 401A 0.328322 402A 0.331994 403A 0.333070
2264 404A 0.335394 405A 0.337022 406A 0.337895
2265 407A 0.339203 408A 0.342029 409A 0.342322
2266 410A 0.346614 411A 0.347216 412A 0.349039
2267 413A 0.351170 414A 0.353417 415A 0.354943
2268 416A 0.357537 417A 0.357544 418A 0.359193
2269 419A 0.360642 420A 0.362971 421A 0.363856
2270 422A 0.366403 423A 0.367747 424A 0.369313
2271 425A 0.371595 426A 0.373506 427A 0.374856
2272 428A 0.380683 429A 0.383370 430A 0.386675
2273 431A 0.391109 432A 0.391924 433A 0.394106
2274 434A 0.396562 435A 0.400395 436A 0.402944
2275 437A 0.404247 438A 0.405417 439A 0.406876
2276 440A 0.408440 441A 0.410267 442A 0.412190
2277 443A 0.412968 444A 0.415522 445A 0.415994
2278 446A 0.416675 447A 0.417560 448A 0.418726
2279 449A 0.421835 450A 0.422906 451A 0.424036
2280 452A 0.425445 453A 0.427993 454A 0.429532
2281 455A 0.432322 456A 0.435071 457A 0.435135
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2283 461A 0.443816 462A 0.445913 463A 0.450814
2284 464A 0.452851 465A 0.453147 466A 0.455228
2285 467A 0.457244 468A 0.458750 469A 0.461124
2286 470A 0.465471 471A 0.465996 472A 0.467043
2287 473A 0.469899 474A 0.470515 475A 0.472803
2288 476A 0.474099 477A 0.475100 478A 0.476390
2289 479A 0.478633 480A 0.479174 481A 0.479839
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2296 500A 0.510910 501A 0.512308 502A 0.513416
2297 503A 0.514944 504A 0.516781 505A 0.518812
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2300 512A 0.532321 513A 0.533737 514A 0.536222
2301 515A 0.537410 516A 0.537907 517A 0.539919
2302 518A 0.540152 519A 0.541787 520A 0.541946
2303 521A 0.544470 522A 0.546474 523A 0.547069
2304 524A 0.549016 525A 0.549641 526A 0.550953
2305 527A 0.551698 528A 0.553990 529A 0.556376
2306 530A 0.557067 531A 0.558490 532A 0.559127
2307 533A 0.560559 534A 0.561612 535A 0.564783
2308 536A 0.565428 537A 0.567490 538A 0.568958
2309 539A 0.570657 540A 0.571376 541A 0.572578
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2321 575A 0.617803 576A 0.620730 577A 0.622007
2322 578A 0.623239 579A 0.625024 580A 0.626055
2323 581A 0.626705 582A 0.629062 583A 0.629649
2324 584A 0.631428 585A 0.633334 586A 0.636055
2325 587A 0.636562 588A 0.637045 589A 0.637613
2326 590A 0.640281 591A 0.641992 592A 0.642570
2327 593A 0.643486 594A 0.646467 595A 0.646745
2328 596A 0.649292 597A 0.650492 598A 0.651088
2329 599A 0.652429 600A 0.653877 601A 0.657075
2330 602A 0.657987 603A 0.658823 604A 0.661255
2331 605A 0.663503 606A 0.664127 607A 0.665797
2332 608A 0.667331 609A 0.668941 610A 0.669755
2333 611A 0.670629 612A 0.674334 613A 0.675084
2334 614A 0.677583 615A 0.678331 616A 0.680256
2335 617A 0.680574 618A 0.684590 619A 0.686126
2336 620A 0.687715 621A 0.688821 622A 0.690220
2337 623A 0.691102 624A 0.692997 625A 0.695064
2338 626A 0.695844 627A 0.698333 628A 0.699601
2339 629A 0.700460 630A 0.702577 631A 0.703323
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2341 635A 0.709401 636A 0.711524 637A 0.712443
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2344 644A 0.726366 645A 0.728659 646A 0.729226
2345 647A 0.730885 648A 0.732120 649A 0.732269
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2347 653A 0.743316 654A 0.743820 655A 0.744783
2348 656A 0.746516 657A 0.749942 658A 0.750732
2349 659A 0.751846 660A 0.752916 661A 0.755901
2350 662A 0.756546 663A 0.757801 664A 0.762943
2351 665A 0.763734 666A 0.765452 667A 0.767903
2352 668A 0.769782 669A 0.772459 670A 0.773781
2353 671A 0.775688 672A 0.776341 673A 0.778027
2354 674A 0.778996 675A 0.782044 676A 0.783938
2355 677A 0.785036 678A 0.786784 679A 0.787319
2356 680A 0.788100 681A 0.791746 682A 0.792753
2357 683A 0.794696 684A 0.796145 685A 0.796828
2358 686A 0.799865 687A 0.800611 688A 0.801759
2359 689A 0.805216 690A 0.807174 691A 0.808275
2360 692A 0.809082 693A 0.812297 694A 0.814011
2361 695A 0.816928 696A 0.817549 697A 0.819175
2362 698A 0.821440 699A 0.821965 700A 0.822913
2363 701A 0.823928 702A 0.826744 703A 0.828568
2364 704A 0.829863 705A 0.833386 706A 0.834445
2365 707A 0.835455 708A 0.838794 709A 0.839413
2366 710A 0.841625 711A 0.842930 712A 0.843629
2367 713A 0.844108 714A 0.845904 715A 0.847253
2368 716A 0.849794 717A 0.850051 718A 0.850826
2369 719A 0.851827 720A 0.854017 721A 0.856310
2370 722A 0.857770 723A 0.858672 724A 0.861391
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2372 728A 0.868712 729A 0.870730 730A 0.872557
2373 731A 0.875409 732A 0.876915 733A 0.877748
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2378 746A 0.902008 747A 0.904942 748A 0.906352
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2380 752A 0.913337 753A 0.916317 754A 0.919265
2381 755A 0.923496 756A 0.923713 757A 0.925716
2382 758A 0.928294 759A 0.932060 760A 0.933439
2383 761A 0.935683 762A 0.936544 763A 0.938425
2384 764A 0.940152 765A 0.942713 766A 0.945202
2385 767A 0.947677 768A 0.951026 769A 0.954112
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2387 773A 0.960539 774A 0.964064 775A 0.964846
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2393 791A 0.998091 792A 0.998877 793A 1.002737
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2399 809A 1.032021 810A 1.032548 811A 1.034688
2400 812A 1.035757 813A 1.037886 814A 1.039367
2401 815A 1.043267 816A 1.043636 817A 1.047747
2402 818A 1.049954 819A 1.050807 820A 1.051865
2403 821A 1.054631 822A 1.055707 823A 1.057004
2404 824A 1.058989 825A 1.062225 826A 1.062763
2405 827A 1.064815 828A 1.066484 829A 1.066648
2406 830A 1.068764 831A 1.070854 832A 1.073273
2407 833A 1.075067 834A 1.075821 835A 1.077086
2408 836A 1.079833 837A 1.081133 838A 1.082098
2409 839A 1.083465 840A 1.084907 841A 1.085986
2410 842A 1.087983 843A 1.090212 844A 1.090783
2411 845A 1.092394 846A 1.095326 847A 1.097629
2412 848A 1.099541 849A 1.100395 850A 1.101147
2413 851A 1.101885 852A 1.104291 853A 1.105942
2414 854A 1.106962 855A 1.109391 856A 1.112254
2415 857A 1.114344 858A 1.116766 859A 1.117721
2416 860A 1.119602 861A 1.121863 862A 1.123551
2417 863A 1.125297 864A 1.127089 865A 1.129170
2418 866A 1.129914 867A 1.133708 868A 1.134467
2419 869A 1.135389 870A 1.137213 871A 1.138771
2420 872A 1.140365 873A 1.141258 874A 1.141903
2421 875A 1.144234 876A 1.145347 877A 1.146336
2422 878A 1.148436 879A 1.149709 880A 1.152738
2423 881A 1.155196 882A 1.155590 883A 1.156729
2424 884A 1.157352 885A 1.160631 886A 1.163276
2425 887A 1.164573 888A 1.165605 889A 1.166926
2426 890A 1.168807 891A 1.170624 892A 1.172464
2427 893A 1.174160 894A 1.175248 895A 1.177097
2428 896A 1.178897 897A 1.180088 898A 1.182949
2429 899A 1.183310 900A 1.186206 901A 1.187654
2430 902A 1.189076 903A 1.191207 904A 1.192668
2431 905A 1.193243 906A 1.196399 907A 1.197189
2432 908A 1.198983 909A 1.200695 910A 1.202934
2433 911A 1.205776 912A 1.206357 913A 1.209322
2434 914A 1.212274 915A 1.212486 916A 1.213619
2435 917A 1.216123 918A 1.217803 919A 1.218100
2436 920A 1.220922 921A 1.222159 922A 1.224200
2437 923A 1.225408 924A 1.228230 925A 1.228948
2438 926A 1.230190 927A 1.230781 928A 1.233047
2439 929A 1.233963 930A 1.235131 931A 1.236981
2440 932A 1.238231 933A 1.240698 934A 1.243913
2441 935A 1.245047 936A 1.246334 937A 1.246985
2442 938A 1.248418 939A 1.251445 940A 1.252271
2443 941A 1.255093 942A 1.257998 943A 1.258074
2444 944A 1.258626 945A 1.260308 946A 1.261113
2445 947A 1.262482 948A 1.264219 949A 1.266661
2446 950A 1.267677 951A 1.269143 952A 1.270397
2447 953A 1.270892 954A 1.274259 955A 1.276316
2448 956A 1.278628 957A 1.279486 958A 1.280640
2449 959A 1.282352 960A 1.284195 961A 1.285267
2450 962A 1.286308 963A 1.287042 964A 1.289321
2451 965A 1.291043 966A 1.292533 967A 1.293986
2452 968A 1.295008 969A 1.296964 970A 1.297399
2453 971A 1.299703 972A 1.301330 973A 1.304069
2454 974A 1.305361 975A 1.306323 976A 1.307148
2455 977A 1.310381 978A 1.312066 979A 1.314923
2456 980A 1.316057 981A 1.318235 982A 1.319748
2457 983A 1.320717 984A 1.323839 985A 1.324708
2458 986A 1.326097 987A 1.327931 988A 1.330324
2459 989A 1.331299 990A 1.333351 991A 1.335015
2460 992A 1.335945 993A 1.338995 994A 1.340113
2461 995A 1.340661 996A 1.341568 997A 1.345179
2462 998A 1.346310 999A 1.348675 1000A 1.349629
2463 1001A 1.350773 1002A 1.352451 1003A 1.355054
2464 1004A 1.355844 1005A 1.357494 1006A 1.358611
2465 1007A 1.361382 1008A 1.363407 1009A 1.363708
2466 1010A 1.365736 1011A 1.366293 1012A 1.368578
2467 1013A 1.370428 1014A 1.373949 1015A 1.374734
2468 1016A 1.376632 1017A 1.377113 1018A 1.377866
2469 1019A 1.379921 1020A 1.380581 1021A 1.383247
2470 1022A 1.384716 1023A 1.386200 1024A 1.387388
2471 1025A 1.388144 1026A 1.390762 1027A 1.392955
2472 1028A 1.394803 1029A 1.396479 1030A 1.397652
2473 1031A 1.399816 1032A 1.402407 1033A 1.402842
2474 1034A 1.405197 1035A 1.407140 1036A 1.408513
2475 1037A 1.409627 1038A 1.410857 1039A 1.412656
2476 1040A 1.413489 1041A 1.415585 1042A 1.415853
2477 1043A 1.417561 1044A 1.417891 1045A 1.420061
2478 1046A 1.421621 1047A 1.423535 1048A 1.424202
2479 1049A 1.425272 1050A 1.426838 1051A 1.428198
2480 1052A 1.429460 1053A 1.429864 1054A 1.431100
2481 1055A 1.432705 1056A 1.433774 1057A 1.434993
2482 1058A 1.436180 1059A 1.437165 1060A 1.438615
2483 1061A 1.440599 1062A 1.443476 1063A 1.444783
2484 1064A 1.446537 1065A 1.447520 1066A 1.448522
2485 1067A 1.449043 1068A 1.451424 1069A 1.452119
2486 1070A 1.455272 1071A 1.456042 1072A 1.458386
2487 1073A 1.459885 1074A 1.461228 1075A 1.464080
2488 1076A 1.464667 1077A 1.465292 1078A 1.466066
2489 1079A 1.468464 1080A 1.470225 1081A 1.470387
2490 1082A 1.471908 1083A 1.473925 1084A 1.476238
2491 1085A 1.477931 1086A 1.479888 1087A 1.480871
2492 1088A 1.482613 1089A 1.484117 1090A 1.485166
2493 1091A 1.487256 1092A 1.488702 1093A 1.489016
2494 1094A 1.491842 1095A 1.493582 1096A 1.496238
2495 1097A 1.497692 1098A 1.499290 1099A 1.499631
2496 1100A 1.502080 1101A 1.502222 1102A 1.503032
2497 1103A 1.506252 1104A 1.507407 1105A 1.508241
2498 1106A 1.511356 1107A 1.512921 1108A 1.513585
2499 1109A 1.514544 1110A 1.516060 1111A 1.516688
2500 1112A 1.517195 1113A 1.521274 1114A 1.523170
2501 1115A 1.524339 1116A 1.524943 1117A 1.526565
2502 1118A 1.531277 1119A 1.532080 1120A 1.532558
2503 1121A 1.534901 1122A 1.536059 1123A 1.536221
2504 1124A 1.539428 1125A 1.541434 1126A 1.543358
2505 1127A 1.545054 1128A 1.545923 1129A 1.548897
2506 1130A 1.549661 1131A 1.552124 1132A 1.556136
2507 1133A 1.556483 1134A 1.558021 1135A 1.559569
2508 1136A 1.562254 1137A 1.562447 1138A 1.568000
2509 1139A 1.568211 1140A 1.570174 1141A 1.571269
2510 1142A 1.573525 1143A 1.575010 1144A 1.577414
2511 1145A 1.578470 1146A 1.581592 1147A 1.582816
2512 1148A 1.584640 1149A 1.586159 1150A 1.588349
2513 1151A 1.590406 1152A 1.592473 1153A 1.594900
2514 1154A 1.596711 1155A 1.598222 1156A 1.599435
2515 1157A 1.600917 1158A 1.602843 1159A 1.604756
2516 1160A 1.605129 1161A 1.607718 1162A 1.610944
2517 1163A 1.611854 1164A 1.614202 1165A 1.616057
2518 1166A 1.618036 1167A 1.619314 1168A 1.621266
2519 1169A 1.621566 1170A 1.624163 1171A 1.625456
2520 1172A 1.628512 1173A 1.629954 1174A 1.630519
2521 1175A 1.632258 1176A 1.633166 1177A 1.637058
2522 1178A 1.639775 1179A 1.640714 1180A 1.641185
2523 1181A 1.644665 1182A 1.647330 1183A 1.648897
2524 1184A 1.650544 1185A 1.652116 1186A 1.656292
2525 1187A 1.658519 1188A 1.659106 1189A 1.660611
2526 1190A 1.661706 1191A 1.664154 1192A 1.665642
2527 1193A 1.667862 1194A 1.670077 1195A 1.671507
2528 1196A 1.673747 1197A 1.675297 1198A 1.676465
2529 1199A 1.678670 1200A 1.679696 1201A 1.680958
2530 1202A 1.682753 1203A 1.685698 1204A 1.687082
2531 1205A 1.688674 1206A 1.689737 1207A 1.692446
2532 1208A 1.694029 1209A 1.694639 1210A 1.697134
2533 1211A 1.697999 1212A 1.702866 1213A 1.703408
2534 1214A 1.706022 1215A 1.706288 1216A 1.708167
2535 1217A 1.709437 1218A 1.710551 1219A 1.713101
2536 1220A 1.715981 1221A 1.716882 1222A 1.718682
2537 1223A 1.719744 1224A 1.721914 1225A 1.724373
2538 1226A 1.725618 1227A 1.727239 1228A 1.728053
2539 1229A 1.729380 1230A 1.731917 1231A 1.733730
2540 1232A 1.735570 1233A 1.737367 1234A 1.738576
2541 1235A 1.740910 1236A 1.742119 1237A 1.743487
2542 1238A 1.743827 1239A 1.744467 1240A 1.746598
2543 1241A 1.749201 1242A 1.749852 1243A 1.752441
2544 1244A 1.754450 1245A 1.756848 1246A 1.758188
2545 1247A 1.760817 1248A 1.763125 1249A 1.764533
2546 1250A 1.765842 1251A 1.768255 1252A 1.770783
2547 1253A 1.771970 1254A 1.773533 1255A 1.774256
2548 1256A 1.777960 1257A 1.778308 1258A 1.780996
2549 1259A 1.782246 1260A 1.785109 1261A 1.787201
2550 1262A 1.788356 1263A 1.790624 1264A 1.793042
2551 1265A 1.795039 1266A 1.797772 1267A 1.800455
2552 1268A 1.802671 1269A 1.804252 1270A 1.806325
2553 1271A 1.807759 1272A 1.810986 1273A 1.811884
2554 1274A 1.813294 1275A 1.815967 1276A 1.817110
2555 1277A 1.818616 1278A 1.821739 1279A 1.821820
2556 1280A 1.823055 1281A 1.827865 1282A 1.828961
2557 1283A 1.832183 1284A 1.835930 1285A 1.837302
2558 1286A 1.838918 1287A 1.839211 1288A 1.846443
2559 1289A 1.847480 1290A 1.849466 1291A 1.851900
2560 1292A 1.853800 1293A 1.855870 1294A 1.858309
2561 1295A 1.859625 1296A 1.860916 1297A 1.862591
2562 1298A 1.866842 1299A 1.867939 1300A 1.869738
2563 1301A 1.870487 1302A 1.872219 1303A 1.875449
2564 1304A 1.878722 1305A 1.880368 1306A 1.881649
2565 1307A 1.883927 1308A 1.886132 1309A 1.889607
2566 1310A 1.891820 1311A 1.893199 1312A 1.896622
2567 1313A 1.898741 1314A 1.900354 1315A 1.904271
2568 1316A 1.905192 1317A 1.906726 1318A 1.912518
2569 1319A 1.913692 1320A 1.914990 1321A 1.917110
2570 1322A 1.919712 1323A 1.921553 1324A 1.922702
2571 1325A 1.926739 1326A 1.929358 1327A 1.930713
2572 1328A 1.932314 1329A 1.935633 1330A 1.938179
2573 1331A 1.940933 1332A 1.941378 1333A 1.944066
2574 1334A 1.946298 1335A 1.951472 1336A 1.953819
2575 1337A 1.954735 1338A 1.956447 1339A 1.958569
2576 1340A 1.961763 1341A 1.963496 1342A 1.964605
2577 1343A 1.966683 1344A 1.968985 1345A 1.971858
2578 1346A 1.974768 1347A 1.976029 1348A 1.979126
2579 1349A 1.982959 1350A 1.983193 1351A 1.986349
2580 1352A 1.987082 1353A 1.989023 1354A 1.990994
2581 1355A 1.991883 1356A 1.993912 1357A 1.997113
2582 1358A 1.998175 1359A 2.001010 1360A 2.002145
2583 1361A 2.002841 1362A 2.007210 1363A 2.010347
2584 1364A 2.012092 1365A 2.013553 1366A 2.015760
2585 1367A 2.018716 1368A 2.019168 1369A 2.021334
2586 1370A 2.025335 1371A 2.027217 1372A 2.027512
2587 1373A 2.028101 1374A 2.032535 1375A 2.034334
2588 1376A 2.036653 1377A 2.037300 1378A 2.038862
2589 1379A 2.039324 1380A 2.042073 1381A 2.045113
2590 1382A 2.047747 1383A 2.050044 1384A 2.053881
2591 1385A 2.055309 1386A 2.058440 1387A 2.061193
2592 1388A 2.063313 1389A 2.067275 1390A 2.069592
2593 1391A 2.071175 1392A 2.072034 1393A 2.075204
2594 1394A 2.079843 1395A 2.082375 1396A 2.085108
2595 1397A 2.087975 1398A 2.088821 1399A 2.090423
2596 1400A 2.093960 1401A 2.096462 1402A 2.100022
2597 1403A 2.101015 1404A 2.102052 1405A 2.106661
2598 1406A 2.109853 1407A 2.111690 1408A 2.112138
2599 1409A 2.113759 1410A 2.119640 1411A 2.121749
2600 1412A 2.123518 1413A 2.126804 1414A 2.128643
2601 1415A 2.131916 1416A 2.134390 1417A 2.136985
2602 1418A 2.139250 1419A 2.140866 1420A 2.143614
2603 1421A 2.146466 1422A 2.147794 1423A 2.150574
2604 1424A 2.156880 1425A 2.157297 1426A 2.161070
2605 1427A 2.163796 1428A 2.164726 1429A 2.166296
2606 1430A 2.169478 1431A 2.171940 1432A 2.172883
2607 1433A 2.176498 1434A 2.180932 1435A 2.181473
2608 1436A 2.187563 1437A 2.189668 1438A 2.192632
2609 1439A 2.194599 1440A 2.197221 1441A 2.198577
2610 1442A 2.202257 1443A 2.204832 1444A 2.207388
2611 1445A 2.207550 1446A 2.211334 1447A 2.213941
2612 1448A 2.214331 1449A 2.219044 1450A 2.222617
2613 1451A 2.225077 1452A 2.225967 1453A 2.229272
2614 1454A 2.234063 1455A 2.234738 1456A 2.235550
2615 1457A 2.236850 1458A 2.243480 1459A 2.244152
2616 1460A 2.246196 1461A 2.248422 1462A 2.249498
2617 1463A 2.250721 1464A 2.251748 1465A 2.253409
2618 1466A 2.256240 1467A 2.260111 1468A 2.261257
2619 1469A 2.263884 1470A 2.267681 1471A 2.269642
2620 1472A 2.272596 1473A 2.274836 1474A 2.278748
2621 1475A 2.279187 1476A 2.282549 1477A 2.284294
2622 1478A 2.285468 1479A 2.288348 1480A 2.290681
2623 1481A 2.295876 1482A 2.297746 1483A 2.303136
2624 1484A 2.304309 1485A 2.307212 1486A 2.308598
2625 1487A 2.312279 1488A 2.315438 1489A 2.318669
2626 1490A 2.320043 1491A 2.325030 1492A 2.329316
2627 1493A 2.331509 1494A 2.336409 1495A 2.340255
2628 1496A 2.347653 1497A 2.350382 1498A 2.353593
2629 1499A 2.355288 1500A 2.356363 1501A 2.359624
2630 1502A 2.361641 1503A 2.364418 1504A 2.368568
2631 1505A 2.369938 1506A 2.375090 1507A 2.376263
2632 1508A 2.382102 1509A 2.386879 1510A 2.388456
2633 1511A 2.393159 1512A 2.394182 1513A 2.397729
2634 1514A 2.402026 1515A 2.406336 1516A 2.409005
2635 1517A 2.411053 1518A 2.418688 1519A 2.424729
2636 1520A 2.428791 1521A 2.431747 1522A 2.432989
2637 1523A 2.436475 1524A 2.438196 1525A 2.445991
2638 1526A 2.446479 1527A 2.446831 1528A 2.452252
2639 1529A 2.452799 1530A 2.456032 1531A 2.457888
2640 1532A 2.460058 1533A 2.464351 1534A 2.469094
2641 1535A 2.473667 1536A 2.475683 1537A 2.478002
2642 1538A 2.479905 1539A 2.485103 1540A 2.490787
2643 1541A 2.494031 1542A 2.496055 1543A 2.500303
2644 1544A 2.501263 1545A 2.512358 1546A 2.517149
2645 1547A 2.517730 1548A 2.522466 1549A 2.525228
2646 1550A 2.535325 1551A 2.539322 1552A 2.541242
2647 1553A 2.544469 1554A 2.546160 1555A 2.550415
2648 1556A 2.557081 1557A 2.565697 1558A 2.566642
2649 1559A 2.569463 1560A 2.571416 1561A 2.577763
2650 1562A 2.581578 1563A 2.583308 1564A 2.586024
2651 1565A 2.587816 1566A 2.588816 1567A 2.595051
2652 1568A 2.596228 1569A 2.600564 1570A 2.602767
2653 1571A 2.604377 1572A 2.605760 1573A 2.609097
2654 1574A 2.613404 1575A 2.614287 1576A 2.618133
2655 1577A 2.619015 1578A 2.623491 1579A 2.625958
2656 1580A 2.632861 1581A 2.634386 1582A 2.638026
2657 1583A 2.642695 1584A 2.644774 1585A 2.649449
2658 1586A 2.655904 1587A 2.661105 1588A 2.664220
2659 1589A 2.666265 1590A 2.672178 1591A 2.673053
2660 1592A 2.676489 1593A 2.680851 1594A 2.683151
2661 1595A 2.687722 1596A 2.689362 1597A 2.691290
2662 1598A 2.695790 1599A 2.698337 1600A 2.699673
2663 1601A 2.702022 1602A 2.706762 1603A 2.708689
2664 1604A 2.711587 1605A 2.713588 1606A 2.714631
2665 1607A 2.720163 1608A 2.722622 1609A 2.724091
2666 1610A 2.727691 1611A 2.727978 1612A 2.734462
2667 1613A 2.734956 1614A 2.740240 1615A 2.743313
2668 1616A 2.747363 1617A 2.748099 1618A 2.753790
2669 1619A 2.757372 1620A 2.760817 1621A 2.766368
2670 1622A 2.767701 1623A 2.769768 1624A 2.773481
2671 1625A 2.776614 1626A 2.781306 1627A 2.783527
2672 1628A 2.786131 1629A 2.789321 1630A 2.793568
2673 1631A 2.797275 1632A 2.798768 1633A 2.801887
2674 1634A 2.804333 1635A 2.806449 1636A 2.809186
2675 1637A 2.812544 1638A 2.816257 1639A 2.818664
2676 1640A 2.822548 1641A 2.825139 1642A 2.829700
2677 1643A 2.831076 1644A 2.833308 1645A 2.837707
2678 1646A 2.839975 1647A 2.842991 1648A 2.843902
2679 1649A 2.846245 1650A 2.847567 1651A 2.851490
2680 1652A 2.855276 1653A 2.855959 1654A 2.860794
2681 1655A 2.863790 1656A 2.866206 1657A 2.867896
2682 1658A 2.873320 1659A 2.874858 1660A 2.876537
2683 1661A 2.879215 1662A 2.880481 1663A 2.881777
2684 1664A 2.889567 1665A 2.891319 1666A 2.895164
2685 1667A 2.895324 1668A 2.899043 1669A 2.901753
2686 1670A 2.902574 1671A 2.905473 1672A 2.907980
2687 1673A 2.910938 1674A 2.915236 1675A 2.916294
2688 1676A 2.917107 1677A 2.920488 1678A 2.923953
2689 1679A 2.924456 1680A 2.932892 1681A 2.934089
2690 1682A 2.934911 1683A 2.938226 1684A 2.939887
2691 1685A 2.940794 1686A 2.944943 1687A 2.948902
2692 1688A 2.949779 1689A 2.954098 1690A 2.956269
2693 1691A 2.958967 1692A 2.961791 1693A 2.965665
2694 1694A 2.966318 1695A 2.967343 1696A 2.970065
2695 1697A 2.972116 1698A 2.973702 1699A 2.976311
2696 1700A 2.978364 1701A 2.982989 1702A 2.986452
2697 1703A 2.986693 1704A 2.988844 1705A 2.990687
2698 1706A 2.992954 1707A 2.995741 1708A 2.997735
2699 1709A 3.000189 1710A 3.003259 1711A 3.005817
2700 1712A 3.006370 1713A 3.009129 1714A 3.010312
2701 1715A 3.012709 1716A 3.014099 1717A 3.019121
2702 1718A 3.020527 1719A 3.024301 1720A 3.025337
2703 1721A 3.029173 1722A 3.030256 1723A 3.032121
2704 1724A 3.036518 1725A 3.037250 1726A 3.039453
2705 1727A 3.042134 1728A 3.043806 1729A 3.047516
2706 1730A 3.048299 1731A 3.050016 1732A 3.051401
2707 1733A 3.054593 1734A 3.055469 1735A 3.056915
2708 1736A 3.058870 1737A 3.061300 1738A 3.063762
2709 1739A 3.065446 1740A 3.069451 1741A 3.071581
2710 1742A 3.074054 1743A 3.076937 1744A 3.081179
2711 1745A 3.082102 1746A 3.083025 1747A 3.083510
2712 1748A 3.089135 1749A 3.090496 1750A 3.095575
2713 1751A 3.097874 1752A 3.099766 1753A 3.101722
2714 1754A 3.102097 1755A 3.103704 1756A 3.107923
2715 1757A 3.111634 1758A 3.113549 1759A 3.116367
2716 1760A 3.116660 1761A 3.119126 1762A 3.120323
2717 1763A 3.123788 1764A 3.125241 1765A 3.127727
2718 1766A 3.130365 1767A 3.132629 1768A 3.140002
2719 1769A 3.141006 1770A 3.141869 1771A 3.144616
2720 1772A 3.147775 1773A 3.151583 1774A 3.151887
2721 1775A 3.156569 1776A 3.159295 1777A 3.162605
2722 1778A 3.165011 1779A 3.167351 1780A 3.168583
2723 1781A 3.174351 1782A 3.175220 1783A 3.176523
2724 1784A 3.181218 1785A 3.181531 1786A 3.183651
2725 1787A 3.186001 1788A 3.186062 1789A 3.189981
2726 1790A 3.193805 1791A 3.194350 1792A 3.194719
2727 1793A 3.198723 1794A 3.200805 1795A 3.201856
2728 1796A 3.204235 1797A 3.205776 1798A 3.206888
2729 1799A 3.207786 1800A 3.210615 1801A 3.215092
2730 1802A 3.217478 1803A 3.217784 1804A 3.218895
2731 1805A 3.221124 1806A 3.224053 1807A 3.224523
2732 1808A 3.225975 1809A 3.229560 1810A 3.230015
2733 1811A 3.232864 1812A 3.235871 1813A 3.236924
2734 1814A 3.238274 1815A 3.240706 1816A 3.242159
2735 1817A 3.242832 1818A 3.245202 1819A 3.247209
2736 1820A 3.247592 1821A 3.247998 1822A 3.251190
2737 1823A 3.251691 1824A 3.255330 1825A 3.257841
2738 1826A 3.258042 1827A 3.260099 1828A 3.261197
2739 1829A 3.262334 1830A 3.263428 1831A 3.266116
2740 1832A 3.267343 1833A 3.270089 1834A 3.270939
2741 1835A 3.273678 1836A 3.275567 1837A 3.277394
2742 1838A 3.278141 1839A 3.280345 1840A 3.282151
2743 1841A 3.282970 1842A 3.285066 1843A 3.287256
2744 1844A 3.288217 1845A 3.289446 1846A 3.292628
2745 1847A 3.293773 1848A 3.294008 1849A 3.295714
2746 1850A 3.296497 1851A 3.297232 1852A 3.299764
2747 1853A 3.300829 1854A 3.302365 1855A 3.303722
2748 1856A 3.304875 1857A 3.308043 1858A 3.309224
2749 1859A 3.311867 1860A 3.313123 1861A 3.315293
2750 1862A 3.316769 1863A 3.318588 1864A 3.318923
2751 1865A 3.320637 1866A 3.323317 1867A 3.324371
2752 1868A 3.325722 1869A 3.326416 1870A 3.328710
2753 1871A 3.331070 1872A 3.333126 1873A 3.334325
2754 1874A 3.334588 1875A 3.336695 1876A 3.339778
2755 1877A 3.340543 1878A 3.342145 1879A 3.343895
2756 1880A 3.345216 1881A 3.346632 1882A 3.347748
2757 1883A 3.351017 1884A 3.353757 1885A 3.354964
2758 1886A 3.356819 1887A 3.357082 1888A 3.359575
2759 1889A 3.360737 1890A 3.361781 1891A 3.363618
2760 1892A 3.366064 1893A 3.368172 1894A 3.369822
2761 1895A 3.370125 1896A 3.374104 1897A 3.376041
2762 1898A 3.376733 1899A 3.377916 1900A 3.379697
2763 1901A 3.382914 1902A 3.383557 1903A 3.387639
2764 1904A 3.388881 1905A 3.391493 1906A 3.394605
2765 1907A 3.396735 1908A 3.398864 1909A 3.401576
2766 1910A 3.403349 1911A 3.404149 1912A 3.406754
2767 1913A 3.408187 1914A 3.409469 1915A 3.413477
2768 1916A 3.416338 1917A 3.417940 1918A 3.419000
2769 1919A 3.420568 1920A 3.421660 1921A 3.424307
2770 1922A 3.426513 1923A 3.427492 1924A 3.428887
2771 1925A 3.430779 1926A 3.431860 1927A 3.433380
2772 1928A 3.434112 1929A 3.437905 1930A 3.439249
2773 1931A 3.440756 1932A 3.442161 1933A 3.443598
2774 1934A 3.445808 1935A 3.447095 1936A 3.449640
2775 1937A 3.450480 1938A 3.452743 1939A 3.453840
2776 1940A 3.454180 1941A 3.456155 1942A 3.460485
2777 1943A 3.461260 1944A 3.462186 1945A 3.464422
2778 1946A 3.466586 1947A 3.467770 1948A 3.468914
2779 1949A 3.472141 1950A 3.473672 1951A 3.474281
2780 1952A 3.475496 1953A 3.477968 1954A 3.478387
2781 1955A 3.479658 1956A 3.483407 1957A 3.483732
2782 1958A 3.485934 1959A 3.488140 1960A 3.488642
2783 1961A 3.489769 1962A 3.493030 1963A 3.494205
2784 1964A 3.496288 1965A 3.496840 1966A 3.497767
2785 1967A 3.499478 1968A 3.500750 1969A 3.502096
2786 1970A 3.503753 1971A 3.505237 1972A 3.506120
2787 1973A 3.510149 1974A 3.513127 1975A 3.513387
2788 1976A 3.514936 1977A 3.516376 1978A 3.517178
2789 1979A 3.518372 1980A 3.519528 1981A 3.522148
2790 1982A 3.522987 1983A 3.523420 1984A 3.525644
2791 1985A 3.527254 1986A 3.529650 1987A 3.532420
2792 1988A 3.533135 1989A 3.534912 1990A 3.536628
2793 1991A 3.537091 1992A 3.539564 1993A 3.540264
2794 1994A 3.540818 1995A 3.541976 1996A 3.545135
2795 1997A 3.546553 1998A 3.547279 1999A 3.549525
2796 2000A 3.550497 2001A 3.551907 2002A 3.554646
2797 2003A 3.558130 2004A 3.558636 2005A 3.560168
2798 2006A 3.563074 2007A 3.564492 2008A 3.567401
2799 2009A 3.567724 2010A 3.569384 2011A 3.569949
2800 2012A 3.572331 2013A 3.572657 2014A 3.576247
2801 2015A 3.576883 2016A 3.578738 2017A 3.579748
2802 2018A 3.581675 2019A 3.584833 2020A 3.586081
2803 2021A 3.587809 2022A 3.589593 2023A 3.590693
2804 2024A 3.593568 2025A 3.595226 2026A 3.596091
2805 2027A 3.596754 2028A 3.599457 2029A 3.600187
2806 2030A 3.602769 2031A 3.604419 2032A 3.604719
2807 2033A 3.607047 2034A 3.608729 2035A 3.610867
2808 2036A 3.611130 2037A 3.613657 2038A 3.614420
2809 2039A 3.616011 2040A 3.618523 2041A 3.621287
2810 2042A 3.621677 2043A 3.624396 2044A 3.624735
2811 2045A 3.627169 2046A 3.628198 2047A 3.630879
2812 2048A 3.633142 2049A 3.633993 2050A 3.636044
2813 2051A 3.637272 2052A 3.641120 2053A 3.642027
2814 2054A 3.645751 2055A 3.647131 2056A 3.647557
2815 2057A 3.650483 2058A 3.650910 2059A 3.652939
2816 2060A 3.656069 2061A 3.656717 2062A 3.657909
2817 2063A 3.659146 2064A 3.661735 2065A 3.662616
2818 2066A 3.663151 2067A 3.665037 2068A 3.666669
2819 2069A 3.668381 2070A 3.671078 2071A 3.672962
2820 2072A 3.673508 2073A 3.673860 2074A 3.675018
2821 2075A 3.676731 2076A 3.677539 2077A 3.682600
2822 2078A 3.683302 2079A 3.683945 2080A 3.685197
2823 2081A 3.686005 2082A 3.687353 2083A 3.690566
2824 2084A 3.691716 2085A 3.692732 2086A 3.693053
2825 2087A 3.696309 2088A 3.696505 2089A 3.698326
2826 2090A 3.699378 2091A 3.700747 2092A 3.703505
2827 2093A 3.704722 2094A 3.705821 2095A 3.707212
2828 2096A 3.708482 2097A 3.709959 2098A 3.712554
2829 2099A 3.714371 2100A 3.715915 2101A 3.717651
2830 2102A 3.721687 2103A 3.724008 2104A 3.725010
2831 2105A 3.726917 2106A 3.728748 2107A 3.729328
2832 2108A 3.730804 2109A 3.730863 2110A 3.732762
2833 2111A 3.733979 2112A 3.735884 2113A 3.737280
2834 2114A 3.738211 2115A 3.741485 2116A 3.742079
2835 2117A 3.743778 2118A 3.745165 2119A 3.746223
2836 2120A 3.748577 2121A 3.751363 2122A 3.752181
2837 2123A 3.753416 2124A 3.754718 2125A 3.755967
2838 2126A 3.759455 2127A 3.760296 2128A 3.760637
2839 2129A 3.763586 2130A 3.763989 2131A 3.766336
2840 2132A 3.767657 2133A 3.769206 2134A 3.771269
2841 2135A 3.773167 2136A 3.773623 2137A 3.774710
2842 2138A 3.776981 2139A 3.779266 2140A 3.779958
2843 2141A 3.780628 2142A 3.781780 2143A 3.784474
2844 2144A 3.786151 2145A 3.788018 2146A 3.789350
2845 2147A 3.791617 2148A 3.791901 2149A 3.793393
2846 2150A 3.794258 2151A 3.796101 2152A 3.798433
2847 2153A 3.798801 2154A 3.799753 2155A 3.801045
2848 2156A 3.802625 2157A 3.804186 2158A 3.806214
2849 2159A 3.808042 2160A 3.809797 2161A 3.810116
2850 2162A 3.811671 2163A 3.813817 2164A 3.816774
2851 2165A 3.819152 2166A 3.819901 2167A 3.822108
2852 2168A 3.823669 2169A 3.824417 2170A 3.825287
2853 2171A 3.828059 2172A 3.830051 2173A 3.831086
2854 2174A 3.832263 2175A 3.833351 2176A 3.835299
2855 2177A 3.837581 2178A 3.840549 2179A 3.841054
2856 2180A 3.841983 2181A 3.844316 2182A 3.846681
2857 2183A 3.847475 2184A 3.849336 2185A 3.850734
2858 2186A 3.853600 2187A 3.854897 2188A 3.857741
2859 2189A 3.860925 2190A 3.861503 2191A 3.863611
2860 2192A 3.865194 2193A 3.866085 2194A 3.867883
2861 2195A 3.870025 2196A 3.871379 2197A 3.872959
2862 2198A 3.874380 2199A 3.875419 2200A 3.878099
2863 2201A 3.879894 2202A 3.882068 2203A 3.885371
2864 2204A 3.887469 2205A 3.889511 2206A 3.891245
2865 2207A 3.892832 2208A 3.893726 2209A 3.895924
2866 2210A 3.896509 2211A 3.898135 2212A 3.899302
2867 2213A 3.900993 2214A 3.903929 2215A 3.904658
2868 2216A 3.906595 2217A 3.907679 2218A 3.909663
2869 2219A 3.912769 2220A 3.913242 2221A 3.914912
2870 2222A 3.917836 2223A 3.919374 2224A 3.921136
2871 2225A 3.921807 2226A 3.924472 2227A 3.925937
2872 2228A 3.926385 2229A 3.928842 2230A 3.929520
2873 2231A 3.930644 2232A 3.931545 2233A 3.934452
2874 2234A 3.935864 2235A 3.939152 2236A 3.940353
2875 2237A 3.941553 2238A 3.944628 2239A 3.946132
2876 2240A 3.947563 2241A 3.948654 2242A 3.949608
2877 2243A 3.950176 2244A 3.951905 2245A 3.954571
2878 2246A 3.956414 2247A 3.956679 2248A 3.959537
2879 2249A 3.962701 2250A 3.964439 2251A 3.965539
2880 2252A 3.966096 2253A 3.967516 2254A 3.967746
2881 2255A 3.971247 2256A 3.974939 2257A 3.976161
2882 2258A 3.977740 2259A 3.978912 2260A 3.980140
2883 2261A 3.980615 2262A 3.983124 2263A 3.984684
2884 2264A 3.986770 2265A 3.988389 2266A 3.992493
2885 2267A 3.992643 2268A 3.993379 2269A 3.997404
2886 2270A 3.998294 2271A 3.999239 2272A 4.001467
2887 2273A 4.003508 2274A 4.006730 2275A 4.008235
2888 2276A 4.010741 2277A 4.011953 2278A 4.013926
2889 2279A 4.014777 2280A 4.016132 2281A 4.017950
2890 2282A 4.020690 2283A 4.023296 2284A 4.024108
2891 2285A 4.025313 2286A 4.030555 2287A 4.032057
2892 2288A 4.033184 2289A 4.036678 2290A 4.037674
2893 2291A 4.038298 2292A 4.040250 2293A 4.042567
2894 2294A 4.045439 2295A 4.048655 2296A 4.049717
2895 2297A 4.052582 2298A 4.053400 2299A 4.053522
2896 2300A 4.054689 2301A 4.058999 2302A 4.062997
2897 2303A 4.066183 2304A 4.067888 2305A 4.068774
2898 2306A 4.069722 2307A 4.070190 2308A 4.072891
2899 2309A 4.077666 2310A 4.077732 2311A 4.081731
2900 2312A 4.083662 2313A 4.084499 2314A 4.086311
2901 2315A 4.086795 2316A 4.089526 2317A 4.090349
2902 2318A 4.094757 2319A 4.095308 2320A 4.095902
2903 2321A 4.097730 2322A 4.099128 2323A 4.103638
2904 2324A 4.105369 2325A 4.106771 2326A 4.109936
2905 2327A 4.112012 2328A 4.112584 2329A 4.115610
2906 2330A 4.116098 2331A 4.118193 2332A 4.120809
2907 2333A 4.123324 2334A 4.125024 2335A 4.128420
2908 2336A 4.129424 2337A 4.131191 2338A 4.132869
2909 2339A 4.135121 2340A 4.136927 2341A 4.139670
2910 2342A 4.141102 2343A 4.143238 2344A 4.143796
2911 2345A 4.145670 2346A 4.147070 2347A 4.148784
2912 2348A 4.152647 2349A 4.155064 2350A 4.157149
2913 2351A 4.158639 2352A 4.162160 2353A 4.163074
2914 2354A 4.165587 2355A 4.167370 2356A 4.170051
2915 2357A 4.171386 2358A 4.173517 2359A 4.175723
2916 2360A 4.178012 2361A 4.180143 2362A 4.181319
2917 2363A 4.182949 2364A 4.184637 2365A 4.186123
2918 2366A 4.188789 2367A 4.189401 2368A 4.192421
2919 2369A 4.193386 2370A 4.194328 2371A 4.197278
2920 2372A 4.199601 2373A 4.200077 2374A 4.203807
2921 2375A 4.204574 2376A 4.206529 2377A 4.208435
2922 2378A 4.211502 2379A 4.212120 2380A 4.214751
2923 2381A 4.216600 2382A 4.218044 2383A 4.222818
2924 2384A 4.224577 2385A 4.229036 2386A 4.229475
2925 2387A 4.230812 2388A 4.233835 2389A 4.234982
2926 2390A 4.236045 2391A 4.237575 2392A 4.239177
2927 2393A 4.241816 2394A 4.244618 2395A 4.248962
2928 2396A 4.249544 2397A 4.253228 2398A 4.253491
2929 2399A 4.255133 2400A 4.258957 2401A 4.259488
2930 2402A 4.261458 2403A 4.264410 2404A 4.265233
2931 2405A 4.267188 2406A 4.271206 2407A 4.271931
2932 2408A 4.274588 2409A 4.276763 2410A 4.279292
2933 2411A 4.281981 2412A 4.282815 2413A 4.284333
2934 2414A 4.287244 2415A 4.290044 2416A 4.290120
2935 2417A 4.290853 2418A 4.293054 2419A 4.294739
2936 2420A 4.295375 2421A 4.298080 2422A 4.300986
2937 2423A 4.305235 2424A 4.305882 2425A 4.306661
2938 2426A 4.308662 2427A 4.311535 2428A 4.313053
2939 2429A 4.315189 2430A 4.316718 2431A 4.318758
2940 2432A 4.322116 2433A 4.326681 2434A 4.327752
2941 2435A 4.329786 2436A 4.332155 2437A 4.333606
2942 2438A 4.337377 2439A 4.338010 2440A 4.339279
2943 2441A 4.341573 2442A 4.344356 2443A 4.345503
2944 2444A 4.347782 2445A 4.351582 2446A 4.355863
2945 2447A 4.357133 2448A 4.358767 2449A 4.361351
2946 2450A 4.364824 2451A 4.366258 2452A 4.369343
2947 2453A 4.373066 2454A 4.374588 2455A 4.376567
2948 2456A 4.378710 2457A 4.380909 2458A 4.382819
2949 2459A 4.384132 2460A 4.386564 2461A 4.387344
2950 2462A 4.390682 2463A 4.392579 2464A 4.395356
2951 2465A 4.397956 2466A 4.400348 2467A 4.402204
2952 2468A 4.403950 2469A 4.407049 2470A 4.410118
2953 2471A 4.411720 2472A 4.414498 2473A 4.419053
2954 2474A 4.420036 2475A 4.421551 2476A 4.422983
2955 2477A 4.426617 2478A 4.428509 2479A 4.431554
2956 2480A 4.434159 2481A 4.435505 2482A 4.436434
2957 2483A 4.438501 2484A 4.440543 2485A 4.442563
2958 2486A 4.444421 2487A 4.445670 2488A 4.446677
2959 2489A 4.451631 2490A 4.452611 2491A 4.455048
2960 2492A 4.455463 2493A 4.457900 2494A 4.460675
2961 2495A 4.461517 2496A 4.462043 2497A 4.464053
2962 2498A 4.466914 2499A 4.469191 2500A 4.470413
2963 2501A 4.472320 2502A 4.475611 2503A 4.479095
2964 2504A 4.479784 2505A 4.481987 2506A 4.482729
2965 2507A 4.485905 2508A 4.487837 2509A 4.489079
2966 2510A 4.491273 2511A 4.495203 2512A 4.495750
2967 2513A 4.496815 2514A 4.499586 2515A 4.501983
2968 2516A 4.503281 2517A 4.505377 2518A 4.507462
2969 2519A 4.507908 2520A 4.510483 2521A 4.513051
2970 2522A 4.514309 2523A 4.516741 2524A 4.517449
2971 2525A 4.520609 2526A 4.522259 2527A 4.523482
2972 2528A 4.525935 2529A 4.526918 2530A 4.529427
2973 2531A 4.530628 2532A 4.532185 2533A 4.534962
2974 2534A 4.536800 2535A 4.538858 2536A 4.542775
2975 2537A 4.543654 2538A 4.545198 2539A 4.547113
2976 2540A 4.547427 2541A 4.548784 2542A 4.550746
2977 2543A 4.552747 2544A 4.553408 2545A 4.555016
2978 2546A 4.556781 2547A 4.559728 2548A 4.564119
2979 2549A 4.564634 2550A 4.566182 2551A 4.568022
2980 2552A 4.569250 2553A 4.569876 2554A 4.571419
2981 2555A 4.572989 2556A 4.574063 2557A 4.575846
2982 2558A 4.577519 2559A 4.580143 2560A 4.581525
2983 2561A 4.583915 2562A 4.587622 2563A 4.588162
2984 2564A 4.588558 2565A 4.591988 2566A 4.592797
2985 2567A 4.595415 2568A 4.597051 2569A 4.599281
2986 2570A 4.600374 2571A 4.604140 2572A 4.604893
2987 2573A 4.606617 2574A 4.608890 2575A 4.611038
2988 2576A 4.613427 2577A 4.614692 2578A 4.615851
2989 2579A 4.618079 2580A 4.619538 2581A 4.621160
2990 2582A 4.622875 2583A 4.623809 2584A 4.626526
2991 2585A 4.629258 2586A 4.631913 2587A 4.634726
2992 2588A 4.637029 2589A 4.638128 2590A 4.639206
2993 2591A 4.641319 2592A 4.643454 2593A 4.645809
2994 2594A 4.648666 2595A 4.650481 2596A 4.651897
2995 2597A 4.652975 2598A 4.654227 2599A 4.657074
2996 2600A 4.660798 2601A 4.661378 2602A 4.662332
2997 2603A 4.664268 2604A 4.669167 2605A 4.670750
2998 2606A 4.671243 2607A 4.674343 2608A 4.675716
2999 2609A 4.678023 2610A 4.682309 2611A 4.683421
3000 2612A 4.685268 2613A 4.688040 2614A 4.688306
3001 2615A 4.690409 2616A 4.692732 2617A 4.693509
3002 2618A 4.697457 2619A 4.699702 2620A 4.701157
3003 2621A 4.702408 2622A 4.703440 2623A 4.703455
3004 2624A 4.707283 2625A 4.709912 2626A 4.712180
3005 2627A 4.715452 2628A 4.716066 2629A 4.719153
3006 2630A 4.720120 2631A 4.722605 2632A 4.723527
3007 2633A 4.725985 2634A 4.726437 2635A 4.728274
3008 2636A 4.730093 2637A 4.731782 2638A 4.734684
3009 2639A 4.736267 2640A 4.737678 2641A 4.739765
3010 2642A 4.740978 2643A 4.742541 2644A 4.745310
3011 2645A 4.745771 2646A 4.747457 2647A 4.749194
3012 2648A 4.751518 2649A 4.753901 2650A 4.756877
3013 2651A 4.758337 2652A 4.760430 2653A 4.763105
3014 2654A 4.764180 2655A 4.765284 2656A 4.768419
3015 2657A 4.770413 2658A 4.771145 2659A 4.772116
3016 2660A 4.774495 2661A 4.776481 2662A 4.778599
3017 2663A 4.779508 2664A 4.783104 2665A 4.786127
3018 2666A 4.788407 2667A 4.790665 2668A 4.791398
3019 2669A 4.793008 2670A 4.795228 2671A 4.796976
3020 2672A 4.798364 2673A 4.800109 2674A 4.803573
3021 2675A 4.806504 2676A 4.809098 2677A 4.812435
3022 2678A 4.815551 2679A 4.817814 2680A 4.818643
3023 2681A 4.820280 2682A 4.823339 2683A 4.824683
3024 2684A 4.829146 2685A 4.830911 2686A 4.837201
3025 2687A 4.838236 2688A 4.840556 2689A 4.843603
3026 2690A 4.848151 2691A 4.849961 2692A 4.851746
3027 2693A 4.852640 2694A 4.858131 2695A 4.858614
3028 2696A 4.861708 2697A 4.863664 2698A 4.864889
3029 2699A 4.869321 2700A 4.871487 2701A 4.873726
3030 2702A 4.876995 2703A 4.880233 2704A 4.881800
3031 2705A 4.882789 2706A 4.886997 2707A 4.888892
3032 2708A 4.891084 2709A 4.893492 2710A 4.896079
3033 2711A 4.900833 2712A 4.901681 2713A 4.907571
3034 2714A 4.909872 2715A 4.911822 2716A 4.915634
3035 2717A 4.917845 2718A 4.918502 2719A 4.925058
3036 2720A 4.929398 2721A 4.930626 2722A 4.935563
3037 2723A 4.937364 2724A 4.940191 2725A 4.941646
3038 2726A 4.945356 2727A 4.950465 2728A 4.953341
3039 2729A 4.954971 2730A 4.957833 2731A 4.960284
3040 2732A 4.964152 2733A 4.967825 2734A 4.972795
3041 2735A 4.974033 2736A 4.974492 2737A 4.977228
3042 2738A 4.978709 2739A 4.986353 2740A 4.989044
3043 2741A 4.991672 2742A 4.993625 2743A 4.994248
3044 2744A 4.998068 2745A 5.001166 2746A 5.002956
3045 2747A 5.004092 2748A 5.009172 2749A 5.009868
3046 2750A 5.012680 2751A 5.015806 2752A 5.016626
3047 2753A 5.020667 2754A 5.024663 2755A 5.025524
3048 2756A 5.028311 2757A 5.029697 2758A 5.032494
3049 2759A 5.034309 2760A 5.035219 2761A 5.036149
3050 2762A 5.038535 2763A 5.040972 2764A 5.043582
3051 2765A 5.044621 2766A 5.047711 2767A 5.051136
3052 2768A 5.052559 2769A 5.054248 2770A 5.056287
3053 2771A 5.060557 2772A 5.060921 2773A 5.065256
3054 2774A 5.066061 2775A 5.067541 2776A 5.068630
3055 2777A 5.071735 2778A 5.072635 2779A 5.075891
3056 2780A 5.077895 2781A 5.078303 2782A 5.080482
3057 2783A 5.084289 2784A 5.086576 2785A 5.089033
3058 2786A 5.089597 2787A 5.092912 2788A 5.094084
3059 2789A 5.096223 2790A 5.098913 2791A 5.101469
3060 2792A 5.102065 2793A 5.104576 2794A 5.106026
3061 2795A 5.108300 2796A 5.109837 2797A 5.111916
3062 2798A 5.115507 2799A 5.116809 2800A 5.117938
3063 2801A 5.120669 2802A 5.122882 2803A 5.124617
3064 2804A 5.126703 2805A 5.128889 2806A 5.130100
3065 2807A 5.132700 2808A 5.134505 2809A 5.134844
3066 2810A 5.136754 2811A 5.139529 2812A 5.142325
3067 2813A 5.143494 2814A 5.147662 2815A 5.149339
3068 2816A 5.151567 2817A 5.152938 2818A 5.154049
3069 2819A 5.155233 2820A 5.157544 2821A 5.158051
3070 2822A 5.160102 2823A 5.164393 2824A 5.165965
3071 2825A 5.167876 2826A 5.168441 2827A 5.173011
3072 2828A 5.174069 2829A 5.175569 2830A 5.177903
3073 2831A 5.179522 2832A 5.181948 2833A 5.187143
3074 2834A 5.188135 2835A 5.189630 2836A 5.194427
3075 2837A 5.195925 2838A 5.197078 2839A 5.198082
3076 2840A 5.199138 2841A 5.202241 2842A 5.203578
3077 2843A 5.205084 2844A 5.206607 2845A 5.208609
3078 2846A 5.211032 2847A 5.214234 2848A 5.215616
3079 2849A 5.217916 2850A 5.219530 2851A 5.221023
3080 2852A 5.223355 2853A 5.226038 2854A 5.227947
3081 2855A 5.230365 2856A 5.232429 2857A 5.233429
3082 2858A 5.235995 2859A 5.236572 2860A 5.240620
3083 2861A 5.241765 2862A 5.241825 2863A 5.245498
3084 2864A 5.247934 2865A 5.249086 2866A 5.249917
3085 2867A 5.253154 2868A 5.254701 2869A 5.256909
3086 2870A 5.259136 2871A 5.262905 2872A 5.266592
3087 2873A 5.267796 2874A 5.268921 2875A 5.270639
3088 2876A 5.271617 2877A 5.272860 2878A 5.274650
3089 2879A 5.279597 2880A 5.279935 2881A 5.283255
3090 2882A 5.285626 2883A 5.286949 2884A 5.292067
3091 2885A 5.293334 2886A 5.296135 2887A 5.297063
3092 2888A 5.300954 2889A 5.301722 2890A 5.304572
3093 2891A 5.307896 2892A 5.308339 2893A 5.313855
3094 2894A 5.315638 2895A 5.316193 2896A 5.318183
3095 2897A 5.321909 2898A 5.323373 2899A 5.327204
3096 2900A 5.329755 2901A 5.330442 2902A 5.332152
3097 2903A 5.332288 2904A 5.334157 2905A 5.339119
3098 2906A 5.341482 2907A 5.344740 2908A 5.348200
3099 2909A 5.348923 2910A 5.349738 2911A 5.351570
3100 2912A 5.353050 2913A 5.357983 2914A 5.359511
3101 2915A 5.361617 2916A 5.363184 2917A 5.367145
3102 2918A 5.369083 2919A 5.371511 2920A 5.374004
3103 2921A 5.374229 2922A 5.376280 2923A 5.381425
3104 2924A 5.381992 2925A 5.384130 2926A 5.385786
3105 2927A 5.387361 2928A 5.390344 2929A 5.391981
3106 2930A 5.393426 2931A 5.395440 2932A 5.398428
3107 2933A 5.399638 2934A 5.400701 2935A 5.402222
3108 2936A 5.402607 2937A 5.409436 2938A 5.411518
3109 2939A 5.412665 2940A 5.413891 2941A 5.415811
3110 2942A 5.418149 2943A 5.420837 2944A 5.423020
3111 2945A 5.425603 2946A 5.427095 2947A 5.428722
3112 2948A 5.430728 2949A 5.433903 2950A 5.435424
3113 2951A 5.438326 2952A 5.440196 2953A 5.443779
3114 2954A 5.445654 2955A 5.448977 2956A 5.449415
3115 2957A 5.452277 2958A 5.453074 2959A 5.457815
3116 2960A 5.463150 2961A 5.466653 2962A 5.469466
3117 2963A 5.473076 2964A 5.476589 2965A 5.478165
3118 2966A 5.480119 2967A 5.483261 2968A 5.488149
3119 2969A 5.488635 2970A 5.495159 2971A 5.497311
3120 2972A 5.498354 2973A 5.501492 2974A 5.501813
3121 2975A 5.503821 2976A 5.507521 2977A 5.508623
3122 2978A 5.511513 2979A 5.515097 2980A 5.517071
3123 2981A 5.522907 2982A 5.525676 2983A 5.527589
3124 2984A 5.530486 2985A 5.532903 2986A 5.536199
3125 2987A 5.539081 2988A 5.542042 2989A 5.545834
3126 2990A 5.547895 2991A 5.550697 2992A 5.552902
3127 2993A 5.558932 2994A 5.562331 2995A 5.564828
3128 2996A 5.566781 2997A 5.570694 2998A 5.572478
3129 2999A 5.575434 3000A 5.577855 3001A 5.579820
3130 3002A 5.582494 3003A 5.586061 3004A 5.588219
3131 3005A 5.591411 3006A 5.593401 3007A 5.594992
3132 3008A 5.599864 3009A 5.604347 3010A 5.606418
3133 3011A 5.608002 3012A 5.609430 3013A 5.611733
3134 3014A 5.614217 3015A 5.615715 3016A 5.617599
3135 3017A 5.620450 3018A 5.621709 3019A 5.623836
3136 3020A 5.625747 3021A 5.627099 3022A 5.629869
3137 3023A 5.632342 3024A 5.633793 3025A 5.637046
3138 3026A 5.638894 3027A 5.643115 3028A 5.644402
3139 3029A 5.645490 3030A 5.646099 3031A 5.646894
3140 3032A 5.650451 3033A 5.652252 3034A 5.652926
3141 3035A 5.656166 3036A 5.657915 3037A 5.659561
3142 3038A 5.660617 3039A 5.662867 3040A 5.663575
3143 3041A 5.666075 3042A 5.667370 3043A 5.667960
3144 3044A 5.670814 3045A 5.671450 3046A 5.674519
3145 3047A 5.675907 3048A 5.677903 3049A 5.679413
3146 3050A 5.680809 3051A 5.681950 3052A 5.683755
3147 3053A 5.685513 3054A 5.688584 3055A 5.691453
3148 3056A 5.692606 3057A 5.693134 3058A 5.694365
3149 3059A 5.696352 3060A 5.700243 3061A 5.701569
3150 3062A 5.704033 3063A 5.706082 3064A 5.707427
3151 3065A 5.708999 3066A 5.710664 3067A 5.712734
3152 3068A 5.714968 3069A 5.715877 3070A 5.717994
3153 3071A 5.721039 3072A 5.721759 3073A 5.724351
3154 3074A 5.726173 3075A 5.727279 3076A 5.729282
3155 3077A 5.732022 3078A 5.732990 3079A 5.734193
3156 3080A 5.735448 3081A 5.738683 3082A 5.740367
3157 3083A 5.741777 3084A 5.743896 3085A 5.745320
3158 3086A 5.746771 3087A 5.749009 3088A 5.750552
3159 3089A 5.751539 3090A 5.753055 3091A 5.754529
3160 3092A 5.755584 3093A 5.757353 3094A 5.759234
3161 3095A 5.759510 3096A 5.761328 3097A 5.764246
3162 3098A 5.766569 3099A 5.768995 3100A 5.771923
3163 3101A 5.774567 3102A 5.775129 3103A 5.777958
3164 3104A 5.779661 3105A 5.780815 3106A 5.782791
3165 3107A 5.785551 3108A 5.788952 3109A 5.790912
3166 3110A 5.794153 3111A 5.794294 3112A 5.798649
3167 3113A 5.799302 3114A 5.803380 3115A 5.804267
3168 3116A 5.807683 3117A 5.808585 3118A 5.812366
3169 3119A 5.813573 3120A 5.815214 3121A 5.817373
3170 3122A 5.820649 3123A 5.823206 3124A 5.827367
3171 3125A 5.829263 3126A 5.832342 3127A 5.834704
3172 3128A 5.835449 3129A 5.838746 3130A 5.840321
3173 3131A 5.842908 3132A 5.844423 3133A 5.845554
3174 3134A 5.847601 3135A 5.848528 3136A 5.851123
3175 3137A 5.854460 3138A 5.857907 3139A 5.859562
3176 3140A 5.861321 3141A 5.866172 3142A 5.867869
3177 3143A 5.870290 3144A 5.870888 3145A 5.873305
3178 3146A 5.878503 3147A 5.879311 3148A 5.882423
3179 3149A 5.884728 3150A 5.889467 3151A 5.893118
3180 3152A 5.894817 3153A 5.895203 3154A 5.896761
3181 3155A 5.900042 3156A 5.901916 3157A 5.903867
3182 3158A 5.905423 3159A 5.908487 3160A 5.912108
3183 3161A 5.913302 3162A 5.915782 3163A 5.917076
3184 3164A 5.919578 3165A 5.922758 3166A 5.924288
3185 3167A 5.925416 3168A 5.926655 3169A 5.928492
3186 3170A 5.931779 3171A 5.933682 3172A 5.936410
3187 3173A 5.939360 3174A 5.942985 3175A 5.944407
3188 3176A 5.945954 3177A 5.946745 3178A 5.949711
3189 3179A 5.954942 3180A 5.957424 3181A 5.958918
3190 3182A 5.965590 3183A 5.966943 3184A 5.972260
3191 3185A 5.976244 3186A 5.979368 3187A 5.985363
3192 3188A 5.989742 3189A 6.000132 3190A 6.003599
3193 3191A 6.009865 3192A 6.013979 3193A 6.017442
3194 3194A 6.020178 3195A 6.020339 3196A 6.022049
3195 3197A 6.023938 3198A 6.026171 3199A 6.027003
3196 3200A 6.032739 3201A 6.039087 3202A 6.040342
3197 3203A 6.043219 3204A 6.043491 3205A 6.048209
3198 3206A 6.048908 3207A 6.049853 3208A 6.054130
3199 3209A 6.058824 3210A 6.059616 3211A 6.061543
3200 3212A 6.065101 3213A 6.065603 3214A 6.070086
3201 3215A 6.072437 3216A 6.078591 3217A 6.082553
3202 3218A 6.084399 3219A 6.087493 3220A 6.088086
3203 3221A 6.091455 3222A 6.096047 3223A 6.096961
3204 3224A 6.104884 3225A 6.105751 3226A 6.107094
3205 3227A 6.111387 3228A 6.112314 3229A 6.113585
3206 3230A 6.120470 3231A 6.125222 3232A 6.125716
3207 3233A 6.126784 3234A 6.131296 3235A 6.132432
3208 3236A 6.135652 3237A 6.137559 3238A 6.143817
3209 3239A 6.146090 3240A 6.148898 3241A 6.152678
3210 3242A 6.160873 3243A 6.168984 3244A 6.172173
3211 3245A 6.174377 3246A 6.175589 3247A 6.180337
3212 3248A 6.183139 3249A 6.184279 3250A 6.186953
3213 3251A 6.191248 3252A 6.191928 3253A 6.194407
3214 3254A 6.195086 3255A 6.200795 3256A 6.203390
3215 3257A 6.206000 3258A 6.208859 3259A 6.210079
3216 3260A 6.212770 3261A 6.213974 3262A 6.216795
3217 3263A 6.219621 3264A 6.222047 3265A 6.225974
3218 3266A 6.226305 3267A 6.230155 3268A 6.232895
3219 3269A 6.234454 3270A 6.235008 3271A 6.238627
3220 3272A 6.239453 3273A 6.242058 3274A 6.244805
3221 3275A 6.248058 3276A 6.252344 3277A 6.253042
3222 3278A 6.255780 3279A 6.257609 3280A 6.259085
3223 3281A 6.262222 3282A 6.264218 3283A 6.265994
3224 3284A 6.271801 3285A 6.275415 3286A 6.276168
3225 3287A 6.279786 3288A 6.281881 3289A 6.283104
3226 3290A 6.286423 3291A 6.291316 3292A 6.291962
3227 3293A 6.293065 3294A 6.297585 3295A 6.302508
3228 3296A 6.303829 3297A 6.307371 3298A 6.308139
3229 3299A 6.311366 3300A 6.314731 3301A 6.317975
3230 3302A 6.321035 3303A 6.322635 3304A 6.325698
3231 3305A 6.329771 3306A 6.333391 3307A 6.335821
3232 3308A 6.337029 3309A 6.341742 3310A 6.345547
3233 3311A 6.346795 3312A 6.352140 3313A 6.353533
3234 3314A 6.354417 3315A 6.356507 3316A 6.358685
3235 3317A 6.363449 3318A 6.367679 3319A 6.370957
3236 3320A 6.372058 3321A 6.372403 3322A 6.377157
3237 3323A 6.379032 3324A 6.384628 3325A 6.387677
3238 3326A 6.388308 3327A 6.392744 3328A 6.394249
3239 3329A 6.398201 3330A 6.400104 3331A 6.404191
3240 3332A 6.405103 3333A 6.408717 3334A 6.412230
3241 3335A 6.415724 3336A 6.418449 3337A 6.419203
3242 3338A 6.421109 3339A 6.424992 3340A 6.426152
3243 3341A 6.431634 3342A 6.433533 3343A 6.435649
3244 3344A 6.437114 3345A 6.440409 3346A 6.443415
3245 3347A 6.445705 3348A 6.449620 3349A 6.454269
3246 3350A 6.455169 3351A 6.461708 3352A 6.463064
3247 3353A 6.466385 3354A 6.474175 3355A 6.476507
3248 3356A 6.477993 3357A 6.479658 3358A 6.484488
3249 3359A 6.486771 3360A 6.488137 3361A 6.491450
3250 3362A 6.493449 3363A 6.498720 3364A 6.502094
3251 3365A 6.505706 3366A 6.508767 3367A 6.510900
3252 3368A 6.513883 3369A 6.517284 3370A 6.518327
3253 3371A 6.520093 3372A 6.524469 3373A 6.525995
3254 3374A 6.529098 3375A 6.541707 3376A 6.543740
3255 3377A 6.550413 3378A 6.551370 3379A 6.558091
3256 3380A 6.563184 3381A 6.564906 3382A 6.572158
3257 3383A 6.574820 3384A 6.580217 3385A 6.581283
3258 3386A 6.584543 3387A 6.587666 3388A 6.593423
3259 3389A 6.600549 3390A 6.602578 3391A 6.606934
3260 3392A 6.611287 3393A 6.622423 3394A 6.626916
3261 3395A 6.636378 3396A 6.641200 3397A 6.644496
3262 3398A 6.648149 3399A 6.654408 3400A 6.657706
3263 3401A 6.661214 3402A 6.663569 3403A 6.666117
3264 3404A 6.667337 3405A 6.668879 3406A 6.672366
3265 3407A 6.679365 3408A 6.681973 3409A 6.684592
3266 3410A 6.685768 3411A 6.691263 3412A 6.692349
3267 3413A 6.697050 3414A 6.699934 3415A 6.701256
3268 3416A 6.703020 3417A 6.707457 3418A 6.708449
3269 3419A 6.716523 3420A 6.717962 3421A 6.723871
3270 3422A 6.728948 3423A 6.730418 3424A 6.744094
3271 3425A 6.752021 3426A 6.758565 3427A 6.762259
3272 3428A 6.762732 3429A 6.766305 3430A 6.769321
3273 3431A 6.771126 3432A 6.772994 3433A 6.773800
3274 3434A 6.775923 3435A 6.779803 3436A 6.780430
3275 3437A 6.783636 3438A 6.784726 3439A 6.787494
3276 3440A 6.809823 3441A 6.831821 3442A 6.880667
3277 3443A 6.888035 3444A 6.925001 3445A 6.939111
3278 3446A 6.943272 3447A 6.947019 3448A 6.949527
3279 3449A 6.953275 3450A 6.956576 3451A 6.961586
3280 3452A 6.962278 3453A 6.965622 3454A 6.971800
3281 3455A 6.973270 3456A 6.975505 3457A 6.980019
3282 3458A 6.980726 3459A 6.983292 3460A 6.985244
3283 3461A 6.989574 3462A 6.990744 3463A 6.992648
3284 3464A 6.994490 3465A 6.995392 3466A 6.996552
3285 3467A 7.000562 3468A 7.003451 3469A 7.007337
3286 3470A 7.009679 3471A 7.010733 3472A 7.012755
3287 3473A 7.016848 3474A 7.042445 3475A 7.065150
3288 3476A 7.080768 3477A 7.126928 3478A 7.145736
3289 3479A 7.158943 3480A 7.162003 3481A 7.167289
3290 3482A 7.174949 3483A 7.179770 3484A 7.192787
3291 3485A 7.200813 3486A 7.204932 3487A 7.213462
3292 3488A 7.215267 3489A 7.224755 3490A 7.231797
3293 3491A 7.243751 3492A 7.251641 3493A 7.260566
3294 3494A 7.267947 3495A 7.276706 3496A 7.277827
3295 3497A 7.350741 3498A 7.367440 3499A 7.414192
3296 3500A 7.426435 3501A 7.428972 3502A 7.445865
3297 3503A 7.447552 3504A 7.450226 3505A 7.451482
3298 3506A 7.454159 3507A 7.457612 3508A 7.461123
3299 3509A 7.462613 3510A 7.465214 3511A 7.468076
3300 3512A 7.471294 3513A 7.476369 3514A 7.478011
3301 3515A 7.480009 3516A 7.481110 3517A 7.483316
3302 3518A 7.484532 3519A 7.484928 3520A 7.486419
3303 3521A 7.490187 3522A 7.493517 3523A 7.495385
3304 3524A 7.496163 3525A 7.497925 3526A 7.500701
3305 3527A 7.503674 3528A 7.505194 3529A 7.509006
3306 3530A 7.516131 3531A 7.542245 3532A 7.558135
3307 3533A 7.589229 3534A 7.605377 3535A 7.625589
3308 3536A 7.629131 3537A 7.632223 3538A 7.634596
3309 3539A 7.637342 3540A 7.642355 3541A 7.649051
3310 3542A 7.649811 3543A 7.654878 3544A 7.656118
3311 3545A 7.662218 3546A 7.665359 3547A 7.667712
3312 3548A 7.671790 3549A 7.674781 3550A 7.681267
3313 3551A 7.689669 3552A 7.710000 3553A 7.726707
3314 3554A 7.731784 3555A 7.734513 3556A 7.744183
3315 3557A 7.747642 3558A 7.750597 3559A 7.755752
3316 3560A 7.759539 3561A 7.761681 3562A 7.766428
3317 3563A 7.769830 3564A 7.775446 3565A 7.778015
3318 3566A 7.778769 3567A 7.783451 3568A 7.788220
3319 3569A 7.794892 3570A 7.803108 3571A 7.808170
3320 3572A 7.825732 3573A 7.839490 3574A 7.844593
3321 3575A 7.897106 3576A 7.906564 3577A 7.938871
3322 3578A 7.957540 3579A 7.970467 3580A 8.017877
3323 3581A 8.038199 3582A 8.092625 3583A 8.116654
3324 3584A 8.186495 3585A 8.200032 3586A 8.266681
3325 3587A 8.364973 3588A 8.406459 3589A 8.456972
3326 3590A 8.463085 3591A 8.600124 3592A 8.732482
3327 3593A 8.959206 3594A 9.100582 3595A 9.340091
3328 3596A 9.547493 3597A 9.664119 3598A 9.719959
3329 3599A 9.734392 3600A 9.815892 3601A 9.827749
3330 3602A 9.944174 3603A 10.011567 3604A 10.111052
3331 3605A 10.191756 3606A 10.206042 3607A 10.240279
3332 3608A 10.294837 3609A 10.333882 3610A 10.371726
3333 3611A 10.447712 3612A 10.453193 3613A 10.501628
3334 3614A 10.553309 3615A 10.616587 3616A 10.624991
3335 3617A 10.653479 3618A 10.719299 3619A 10.732638
3336 3620A 10.798337 3621A 10.851367 3622A 10.902408
3337 3623A 10.991430 3624A 11.180700 3625A 11.267310
3338 3626A 11.541693 3627A 11.817258 3628A 11.874247
3339 3629A 12.009039 3630A 12.132080 3631A 12.256851
3340 3632A 12.322395 3633A 12.342963 3634A 12.367917
3341 3635A 12.377191 3636A 12.393803 3637A 12.417180
3342 3638A 12.441309 3639A 12.449365 3640A 12.459161
3343 3641A 12.468945 3642A 12.477332 3643A 12.508963
3344 3644A 12.514739 3645A 12.525369 3646A 12.530578
3345 3647A 12.553406 3648A 12.582411 3649A 12.618231
3346 3650A 12.642640 3651A 12.667135 3652A 12.680572
3347 3653A 12.700902 3654A 12.734280 3655A 12.953471
3348 3656A 13.059285 3657A 13.078482 3658A 13.093247
3349 3659A 13.153171 3660A 13.205443 3661A 13.246494
3350 3662A 13.432698 3663A 13.449959 3664A 13.575887
3351 3665A 13.589618 3666A 13.713439 3667A 13.733610
3352 3668A 13.774137 3669A 13.793542 3670A 13.806023
3353 3671A 13.831328 3672A 13.868893 3673A 13.882332
3354 3674A 13.923671 3675A 13.927839 3676A 13.954799
3355 3677A 13.971972 3678A 13.993929 3679A 14.007823
3356 3680A 14.036939 3681A 14.083711 3682A 14.103532
3357 3683A 14.182445 3684A 14.194934 3685A 14.215499
3358 3686A 14.256794 3687A 14.261529 3688A 14.275878
3359 3689A 14.293613 3690A 14.312584 3691A 14.344251
3360 3692A 14.360417 3693A 14.387868 3694A 14.402435
3361 3695A 14.427309 3696A 14.452664 3697A 14.875480
3362 3698A 15.683729 3699A 27.781333 3700A 27.925043
3363 3701A 28.155036 3702A 28.307679 3703A 28.711615
3364 3704A 28.879606 3705A 34.920284 3706A 41.305476
3365 3707A 43.001519 3708A 43.744973 3709A 43.886791
3366 3710A 44.280609 3711A 44.678548 3712A 44.984098
3367 3713A 45.877694 3714A 49.085643 3715A 51.121548
3368 3716A 52.990847 3717A 160.984434 3718A 161.040328
3369
3370 Final Occupation by Irrep:
3371 A
3372 DOCC [ 301 ]
3373 NA [ 301 ]
3374 NB [ 301 ]
3375
3376 @DF-RHF Final Energy: -4189.32171646281586
3377
3378 => Energetics <=
3379
3380 Nuclear Repulsion Energy = 16791.5448228344685049
3381 One-Electron Energy = -39226.6962398878677050
3382 Two-Electron Energy = 18245.8297005905842525
3383 Total Energy = -4189.3217164628149476
3384
3385Computation Completed
3386
3387
3388Properties will be evaluated at 0.000000, 0.000000, 0.000000 [a0]
3389
3390Properties computed using the SCF density matrix
3391
3392
3393 Multipole Moments:
3394
3395 ------------------------------------------------------------------------------------
3396 Multipole Electronic (a.u.) Nuclear (a.u.) Total (a.u.)
3397 ------------------------------------------------------------------------------------
3398
3399 L = 1. Multiply by 2.5417464519 to convert [e a0] to [Debye]
3400 Dipole X : 81.6716419 -81.4584348 0.2132071
3401 Dipole Y : 50.7762649 -50.7760762 0.0001887
3402 Dipole Z : 59.1459544 -59.1077509 0.0382035
3403 Magnitude : 0.2166029
3404
3405 ------------------------------------------------------------------------------------
3406
3407*** tstop() called on ac0111 at Sat Oct 11 11:36:20 2025
3408Module time:
3409 user time = 38442.80 seconds = 640.71 minutes
3410 system time = 897.08 seconds = 14.95 minutes
3411 total time = 2565 seconds = 42.75 minutes
3412Total time:
3413 user time = 97863.23 seconds = 1631.05 minutes
3414 system time = 2356.99 seconds = 39.28 minutes
3415 total time = 6456 seconds = 107.60 minutes
3416
3417 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
3418 // Monomer B HF (Dimer Basis) //
3419 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
3420
3421 => Libint2 <=
3422
3423 Primary basis highest AM E, G, H: 5, 4, 3
3424 Auxiliary basis highest AM E, G, H: 6, 5, 4
3425 Onebody basis highest AM E, G, H: 6, 5, 4
3426 Solid Harmonics ordering: gaussian
3427
3428*** tstart() called on ac0111
3429*** at Sat Oct 11 11:36:20 2025
3430
3431 => Loading Basis Set <=
3432
3433 Name: CC-PVTZ
3434 Role: ORBITAL
3435 Keyword: BASIS
3436 atoms 1-28, 127-128 entry N line 224 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
3437 atoms 29-70, 129-138 entry C line 186 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
3438 atoms 71-84 entry O line 262 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
3439 atoms 85-126, 141-153 entry H line 23 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
3440 atoms 139-140 entry Cl line 847 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
3441
3442
3443 ---------------------------------------------------------
3444 SCF
3445 by Justin Turney, Rob Parrish, Andy Simmonett
3446 and Daniel G. A. Smith
3447 RHF Reference
3448 24 Threads, 71525 MiB Core
3449 ---------------------------------------------------------
3450
3451 ==> Geometry <==
3452
3453 Molecular point group: c1
3454 Full point group: C1
3455
3456 Geometry (in Angstrom), charge = 1, multiplicity = 1:
3457
3458 Center X Y Z Mass
3459 ------------ ----------------- ----------------- ----------------- -----------------
3460 Gh(N) -5.007390768128 2.188446201888 -0.240442583466 14.003074004430
3461 Gh(N) -0.473958290276 2.694695558639 -4.752523215774 14.003074004430
3462 Gh(N) -1.270561110325 -0.723023165998 4.236842391910 14.003074004430
3463 Gh(N) -4.212667410899 4.011111301675 1.208875827286 14.003074004430
3464 Gh(N) 0.689827661080 -2.138645748723 4.028324861724 14.003074004430
3465 Gh(N) 2.557959976340 2.468804280887 -3.165659027361 14.003074004430
3466 Gh(N) -4.040218693872 3.235209296147 -2.197115204064 14.003074004430
3467 Gh(N) 0.713818323643 3.697341800498 -2.840046279402 14.003074004430
3468 Gh(N) -0.718482776293 -4.006852204761 3.295971490658 14.003074004430
3469 Gh(N) -1.327778162508 4.676938497559 -1.997882239108 14.003074004430
3470 Gh(N) 1.031082726422 1.059568990323 -4.462714592142 14.003074004430
3471 Gh(N) 4.999001799755 -1.238038315482 -1.869048375819 14.003074004430
3472 Gh(N) -5.244108047818 0.770155846240 1.465492716036 14.003074004430
3473 Gh(N) -3.902896667489 2.396040496249 2.730902449783 14.003074004430
3474 Gh(N) -2.692328450913 -2.576464884940 3.478958176203 14.003074004430
3475 Gh(N) 2.600105922514 -3.256731866456 3.650442475420 14.003074004430
3476 Gh(N) 5.304928699654 -2.878427234120 -0.054913865620 14.003074004430
3477 Gh(N) -2.962439647658 0.749629713248 4.263108064653 14.003074004430
3478 Gh(N) 2.853669668882 -5.175784024345 0.612152115535 14.003074004430
3479 Gh(N) 4.051156262380 0.587678220769 -2.745838663373 14.003074004430
3480 Gh(N) 4.180805410474 -3.460788653659 1.790938381485 14.003074004430
3481 Gh(N) 1.151609707659 -4.712759391596 2.294006270680 14.003074004430
3482 Gh(N) 3.508307802836 -4.075251527017 -1.220512593906 14.003074004430
3483 Gh(N) 2.521934450983 -0.803041562313 -4.035567152135 14.003074004430
3484 Gh(N) -2.571082669762 3.601314195729 -3.836086755352 14.003074004430
3485 Gh(N) 3.459209448521 -2.635101452370 -3.182132650685 14.003074004430
3486 Gh(N) -3.985468131133 -0.900797213253 2.737993302371 14.003074004430
3487 Gh(N) -3.151373173640 5.035247334548 -0.755987051122 14.003074004430
3488 Gh(C) 1.909016850864 3.282643672146 -2.260325919031 12.000000000000
3489 Gh(C) 0.699620010646 3.377951291191 -4.268381478370 12.000000000000
3490 Gh(C) 1.799468231702 2.304715454634 -4.380377410262 12.000000000000
3491 Gh(C) 2.059720500841 -1.999346104670 3.827925393577 12.000000000000
3492 Gh(C) -5.058626662300 0.851654501518 0.101475804610 12.000000000000
3493 Gh(C) -3.612302674737 -0.525437606837 4.110153594667 12.000000000000
3494 Gh(C) -0.283789262197 1.329440859609 -4.820043260231 12.000000000000
3495 Gh(C) -2.485560498276 -1.524291821714 4.439855737274 12.000000000000
3496 Gh(C) -1.587118790367 0.630791062151 4.250640628033 12.000000000000
3497 Gh(C) -3.474636580033 2.687826428644 -3.330824212616 12.000000000000
3498 Gh(C) 0.054425253896 4.896275676437 -2.362658290060 12.000000000000
3499 Gh(C) 4.903752496223 -2.444556951859 1.194904982896 12.000000000000
3500 Gh(C) -3.629823680382 2.017292927126 4.107206606702 12.000000000000
3501 Gh(C) 3.899550222157 -0.408113808574 -3.790689384594 12.000000000000
3502 Gh(C) -5.216369184691 2.646547701887 -1.597772973104 12.000000000000
3503 Gh(C) -3.668135134028 4.643647009511 -2.045527307562 12.000000000000
3504 Gh(C) -2.427347566821 4.742863772047 -2.965030002251 12.000000000000
3505 Gh(C) -2.126069776535 -3.899959054649 3.598614625857 12.000000000000
3506 Gh(C) -1.770557036333 4.999087584150 -0.729149916007 12.000000000000
3507 Gh(C) 3.562184570985 -3.973098358188 -2.667681242683 12.000000000000
3508 Gh(C) -0.231271124122 -4.666614344409 2.188925198275 12.000000000000
3509 Gh(C) 4.163400970566 -4.666591917496 0.965287496185 12.000000000000
3510 Gh(C) -1.751561651036 3.329760391225 -4.996911218468 12.000000000000
3511 Gh(C) -5.266018804348 -0.479937897891 2.182009455558 12.000000000000
3512 Gh(C) 3.966753724551 -3.467775978765 3.225447904849 12.000000000000
3513 Gh(C) 3.916389578446 2.005900994844 -2.995940099552 12.000000000000
3514 Gh(C) 4.710909934655 -4.153341403567 -0.393948554050 12.000000000000
3515 Gh(C) -3.425604481928 3.614668701658 2.268408041755 12.000000000000
3516 Gh(C) 4.726675173101 0.097225140986 -1.646814519393 12.000000000000
3517 Gh(C) 2.273596038150 -2.098260538297 -3.628719969913 12.000000000000
3518 Gh(C) -0.009234966780 -1.143643337743 4.818918481524 12.000000000000
3519 Gh(C) -5.253160857904 3.051747496115 0.908950585020 12.000000000000
3520 Gh(C) -3.533775261478 -2.187628347651 2.459774126419 12.000000000000
3521 Gh(C) -5.181820684029 2.066975395262 2.101764931218 12.000000000000
3522 Gh(C) 0.337890804505 -3.554403223854 4.167853234877 12.000000000000
3523 Gh(C) 4.551471011806 -1.681548346705 -3.177895685897 12.000000000000
3524 Gh(C) 1.671917375495 -0.134111962655 -4.988408016960 12.000000000000
3525 Gh(C) 2.436147117116 -4.700391281820 -0.614315760431 12.000000000000
3526 Gh(C) -3.943850423898 5.210487996482 0.442583997970 12.000000000000
3527 Gh(C) 5.909054492130 -1.984597498683 -1.022418427570 12.000000000000
3528 Gh(C) 1.899417161285 -5.711507222019 1.552895800832 12.000000000000
3529 Gh(C) 1.585816011911 -4.280435775905 3.621768712239 12.000000000000
3530 Gh(O) 2.324055841064 3.602074343968 -1.147953953292 15.994914619570
3531 Gh(O) -0.785793924109 1.563485865855 4.278430568646 15.994914619570
3532 Gh(O) -1.123825191149 0.498871416289 -5.165567984703 15.994914619570
3533 Gh(O) 2.688004125207 -0.942205911701 3.841799904744 15.994914619570
3534 Gh(O) 5.193754523702 -1.365117171020 1.710789188278 15.994914619570
3535 Gh(O) 5.063333731121 0.749153385883 -0.657702077668 15.994914619570
3536 Gh(O) -3.753671633024 1.597477358022 -3.830995213465 15.994914619570
3537 Gh(O) -4.992097205346 -0.103635134824 -0.678574866410 15.994914619570
3538 Gh(O) -3.854145949089 -2.870249028173 1.485277673594 15.994914619570
3539 Gh(O) 1.314309052502 -4.851762427863 -1.099914710628 15.994914619570
3540 Gh(O) -0.905052011426 -5.156815341430 1.282846662589 15.994914619570
3541 Gh(O) 1.192908416153 -2.687062290731 -3.708446394064 15.994914619570
3542 Gh(O) -2.485028768255 4.243843136803 2.750965947949 15.994914619570
3543 Gh(O) -1.061234626101 5.248719711046 0.244884035177 15.994914619570
3544 Gh(H) 0.634741248927 -0.257682942765 4.879787678203 1.007825032230
3545 Gh(H) -0.191413705220 -1.545976244927 5.833182459662 1.007825032230
3546 Gh(H) 0.888517765470 4.286443369086 -4.862609200507 1.007825032230
3547 Gh(H) 2.451005335790 2.413656417750 -5.263053820389 1.007825032230
3548 Gh(H) -6.223295671004 3.561467161029 0.798126874195 1.007825032230
3549 Gh(H) -4.489545140451 -0.598179784233 4.772319728203 1.007825032230
3550 Gh(H) -6.001492193201 2.178912663232 2.829175796672 1.007825032230
3551 Gh(H) -2.516902719416 -1.922163827071 5.467042705891 1.007825032230
3552 Gh(H) 4.370283082618 -0.064029313115 -4.725854819965 1.007825032230
3553 Gh(H) -4.504919251436 5.296431373524 -2.339489857555 1.007825032230
3554 Gh(H) -2.370304888560 5.672647211918 -3.552632369793 1.007825032230
3555 Gh(H) 0.101119678484 -3.789021776266 5.218486064322 1.007825032230
3556 Gh(H) 4.772437395966 -5.456908225604 1.430002982672 1.007825032230
3557 Gh(H) 5.404077387027 -2.076758721879 -3.752493623161 1.007825032230
3558 Gh(H) 0.109894049137 5.675647436952 -3.143455631521 1.007825032230
3559 Gh(H) 5.453549063571 -4.818268202049 -0.861495949654 1.007825032230
3560 Gh(H) -2.980280404084 2.788429426269 4.538918307513 1.007825032230
3561 Gh(H) -4.577446667429 1.973090344116 4.666738884392 1.007825032230
3562 Gh(H) -5.499462174531 1.782220404284 -2.211778002569 1.007825032230
3563 Gh(H) -6.035779427277 3.385498175301 -1.596141212870 1.007825032230
3564 Gh(H) 1.898878809664 -5.152063967673 4.218423810922 1.007825032230
3565 Gh(H) -2.284740027465 -4.243391925910 4.632968716763 1.007825032230
3566 Gh(H) -2.663093882090 -4.557406482413 2.903880705228 1.007825032230
3567 Gh(H) 4.512370701842 -4.409786897502 -3.014393240707 1.007825032230
3568 Gh(H) 2.721371353618 -4.547156036303 -3.077946392784 1.007825032230
3569 Gh(H) -1.565729183681 4.284741864617 -5.508821686292 1.007825032230
3570 Gh(H) -2.322410977266 2.665072692289 -5.657016881890 1.007825032230
3571 Gh(H) -5.997796284072 -0.388443340655 3.001282409007 1.007825032230
3572 Gh(H) -5.594213339047 -1.257653363856 1.481711040845 1.007825032230
3573 Gh(H) 4.300888554941 -4.434031431457 3.633144639867 1.007825032230
3574 Gh(H) 4.572747399686 -2.658441958617 3.652250382458 1.007825032230
3575 Gh(H) 2.279503161099 0.136032796422 -5.871329833074 1.007825032230
3576 Gh(H) 0.878008480228 -0.830362238454 -5.284566132121 1.007825032230
3577 Gh(H) 4.344562421336 2.532452769455 -2.133889296407 1.007825032230
3578 Gh(H) 4.479837673979 2.262489651601 -3.909158188015 1.007825032230
3579 Gh(H) -4.903320369620 5.660860998215 0.152330870348 1.007825032230
3580 Gh(H) -3.400889094508 5.898857639603 1.102206148354 1.007825032230
3581 Gh(H) 6.569623489680 -2.580966507175 -1.669046315437 1.007825032230
3582 Gh(H) 6.507011066229 -1.258176850728 -0.457480977125 1.007825032230
3583 Gh(H) 2.442444260130 -6.358630789983 2.258192806404 1.007825032230
3584 Gh(H) 1.177380024560 -6.312383505729 0.986233476739 1.007825032230
3585 Gh(H) 0.580803041265 5.234377226497 -1.460896102340 1.007825032230
3586 N -2.763967726341 -2.115281967028 -1.619416895151 14.003074004430
3587 N -0.568469008506 -0.476026026414 -0.761142979916 14.003074004430
3588 C -0.401474427098 1.662429154986 0.509457621015 12.000000000000
3589 C -2.326836415585 -0.917155071994 -2.401926454598 12.000000000000
3590 C -1.731544506181 0.093220901306 -1.444758722167 12.000000000000
3591 C 0.137744135983 0.442879486522 0.055382530328 12.000000000000
3592 C 1.452954306018 0.136075401307 0.465542106439 12.000000000000
3593 C 1.607769589110 2.152249853177 1.739792496594 12.000000000000
3594 C -1.000695014571 -1.661538654145 0.013160377714 12.000000000000
3595 C 0.322300934305 2.517166924726 1.344894693617 12.000000000000
3596 C 2.198979242032 0.968028666662 1.298363904300 12.000000000000
3597 C -1.606362815926 -2.714007750232 -0.885924001489 12.000000000000
3598 Cl 2.518588756771 3.209473141512 2.804157513583 34.968852682000
3599 Cl 2.200817910951 -1.346240068510 -0.092063036135 34.968852682000
3600 H -1.420215167048 0.985032205442 -2.008141181389 1.007825032230
3601 H -2.516135441654 0.389001117480 -0.721115861688 1.007825032230
3602 H -3.189009224495 -2.811419433123 -2.244360407141 1.007825032230
3603 H -3.492277760604 -1.823255342864 -0.942392969534 1.007825032230
3604 H -1.416181800995 1.954440096016 0.224217481567 1.007825032230
3605 H -0.128383240059 3.444918612189 1.697283993675 1.007825032230
3606 H 3.210941742845 0.687837146437 1.590633283765 1.007825032230
3607 H -1.742246596497 -1.351090285179 0.774739014830 1.007825032230
3608 H -0.144027438166 -2.107191535779 0.533470319231 1.007825032230
3609 H -1.592413553033 -1.267662558768 -3.140716483482 1.007825032230
3610 H -3.203415835776 -0.499620099127 -2.908687598284 1.007825032230
3611 H -0.890308520797 -3.062850081335 -1.643490740026 1.007825032230
3612 H -1.972735979727 -3.561796768552 -0.295918702343 1.007825032230
3613
3614 Running in c1 symmetry.
3615
3616 Rotational constants: A = 0.00089 B = 0.00071 C = 0.00054 [cm^-1]
3617 Rotational constants: A = 26.78642 B = 21.25616 C = 16.15042 [MHz]
3618 Nuclear repulsion = 1104.499192351430111
3619
3620 Charge = 1
3621 Multiplicity = 1
3622 Electrons = 120
3623 Nalpha = 60
3624 Nbeta = 60
3625
3626 ==> Algorithm <==
3627
3628 SCF Algorithm Type is DF.
3629 DIIS enabled.
3630 MOM disabled.
3631 Fractional occupation disabled.
3632 Guess Type is SAD.
3633 Energy threshold = 1.00e-08
3634 Density threshold = 1.00e-08
3635 Integral threshold = 1.00e-12
3636
3637 ==> Primary Basis <==
3638
3639 Basis Set: CC-PVTZ
3640 Blend: CC-PVTZ
3641 Number of shells: 1314
3642 Number of basis functions: 3718
3643 Number of Cartesian functions: 4263
3644 Spherical Harmonics?: true
3645 Max angular momentum: 3
3646
3647 => Loading Basis Set <=
3648
3649 Name: (CC-PVTZ AUX)
3650 Role: JKFIT
3651 Keyword: DF_BASIS_SCF
3652 atoms 1-28, 127-128 entry N line 177 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
3653 atoms 29-70, 129-138 entry C line 125 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
3654 atoms 71-84 entry O line 229 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
3655 atoms 85-126, 141-153 entry H line 51 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
3656 atoms 139-140 entry Cl line 689 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
3657
3658 ==> Integral Setup <==
3659
3660 ==> DiskDFJK: Density-Fitted J/K Matrices <==
3661
3662 J tasked: Yes
3663 K tasked: Yes
3664 wK tasked: No
3665 OpenMP threads: 24
3666 Integrals threads: 24
3667 Memory [MiB]: 53644
3668 Algorithm: Disk
3669 Integral Cache: LOAD
3670 Schwarz Cutoff: 1E-12
3671 Fitting Condition: 1E-10
3672
3673 => Auxiliary Basis Set <=
3674
3675 Basis Set: (CC-PVTZ AUX)
3676 Blend: CC-PVTZ-JKFIT
3677 Number of shells: 3024
3678 Number of basis functions: 9476
3679 Number of Cartesian functions: 11431
3680 Spherical Harmonics?: true
3681 Max angular momentum: 4
3682
3683 Minimum eigenvalue in the overlap matrix is 1.9560472340E-05.
3684 Reciprocal condition number of the overlap matrix is 2.0538733882E-06.
3685 Using symmetric orthogonalization.
3686
3687 ==> Pre-Iterations <==
3688
3689 SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF (no occupation information).
3690
3691 -------------------------
3692 Irrep Nso Nmo
3693 -------------------------
3694 A 3718 3718
3695 -------------------------
3696 Total 3718 3718
3697 -------------------------
3698
3699 ==> Iterations <==
3700
3701 Total Energy Delta E RMS |[F,P]|
3702
3703 @DF-RHF iter SAD: -1414.88946250895538 -1.41489e+03 0.00000e+00
3704 @DF-RHF iter 1: -1413.82549532072653 1.06397e+00 1.73579e-04 DIIS/ADIIS
3705 @DF-RHF iter 2: -1414.07101193357494 -2.45517e-01 7.11413e-05 DIIS
3706 @DF-RHF iter 3: -1414.10767777114370 -3.66658e-02 2.17305e-05 DIIS
3707 @DF-RHF iter 4: -1414.11279678044775 -5.11901e-03 5.84319e-06 DIIS
3708 @DF-RHF iter 5: -1414.11314417316771 -3.47393e-04 2.21426e-06 DIIS
3709 @DF-RHF iter 6: -1414.11320706613265 -6.28930e-05 8.57100e-07 DIIS
3710 @DF-RHF iter 7: -1414.11322051793923 -1.34518e-05 3.23733e-07 DIIS
3711 @DF-RHF iter 8: -1414.11322384545133 -3.32751e-06 1.83392e-07 DIIS
3712 @DF-RHF iter 9: -1414.11322474500116 -8.99550e-07 7.89705e-08 DIIS
3713 @DF-RHF iter 10: -1414.11322496823072 -2.23230e-07 3.39511e-08 DIIS
3714 @DF-RHF iter 11: -1414.11322500856181 -4.03311e-08 1.60245e-08 DIIS
3715 @DF-RHF iter 12: -1414.11322501431596 -5.75415e-09 4.50749e-09 DIIS
3716 Energy and wave function converged.
3717
3718
3719 ==> Post-Iterations <==
3720
3721 Orbital Energies [Eh]
3722 ---------------------
3723
3724 Doubly Occupied:
3725
3726 1A -104.948257 2A -104.927476 3A -15.876638
3727 4A -15.723469 5A -11.466320 6A -11.464012
3728 7A -11.431538 8A -11.425502 9A -11.419309
3729 10A -11.410330 11A -11.409203 12A -11.368092
3730 13A -11.364619 14A -11.360412 15A -10.672665
3731 16A -10.651722 17A -8.139515 18A -8.137616
3732 19A -8.137574 20A -8.118570 21A -8.116568
3733 22A -8.116561 23A -1.513167 24A -1.408695
3734 25A -1.300779 26A -1.250765 27A -1.230764
3735 28A -1.204684 29A -1.158151 30A -1.119572
3736 31A -1.078988 32A -1.062651 33A -1.010135
3737 34A -0.956711 35A -0.939464 36A -0.922310
3738 37A -0.882844 38A -0.834595 39A -0.830914
3739 40A -0.810222 41A -0.800225 42A -0.765473
3740 43A -0.752075 44A -0.742955 45A -0.738406
3741 46A -0.721881 47A -0.699167 48A -0.691700
3742 49A -0.677380 50A -0.671566 51A -0.659291
3743 52A -0.633069 53A -0.628493 54A -0.600586
3744 55A -0.566678 56A -0.560904 57A -0.541651
3745 58A -0.534740 59A -0.454447 60A -0.428843
3746
3747 Virtual:
3748
3749 61A -0.080694 62A -0.054984 63A -0.050577
3750 64A -0.047314 65A -0.029574 66A -0.027492
3751 67A -0.022766 68A -0.016738 69A -0.012516
3752 70A -0.008102 71A -0.001874 72A -0.000615
3753 73A 0.003412 74A 0.008874 75A 0.010195
3754 76A 0.012849 77A 0.022130 78A 0.025570
3755 79A 0.026537 80A 0.030247 81A 0.031842
3756 82A 0.036217 83A 0.040369 84A 0.041444
3757 85A 0.044670 86A 0.046688 87A 0.050509
3758 88A 0.058751 89A 0.061652 90A 0.061976
3759 91A 0.064150 92A 0.066340 93A 0.068430
3760 94A 0.072187 95A 0.073922 96A 0.075931
3761 97A 0.082419 98A 0.084429 99A 0.086934
3762 100A 0.090933 101A 0.093235 102A 0.095325
3763 103A 0.100389 104A 0.101649 105A 0.103632
3764 106A 0.104568 107A 0.107670 108A 0.109668
3765 109A 0.111358 110A 0.112337 111A 0.115436
3766 112A 0.118928 113A 0.121969 114A 0.123008
3767 115A 0.126875 116A 0.128301 117A 0.128723
3768 118A 0.131003 119A 0.135656 120A 0.138647
3769 121A 0.140627 122A 0.142300 123A 0.143298
3770 124A 0.146110 125A 0.147069 126A 0.149537
3771 127A 0.151108 128A 0.152579 129A 0.155401
3772 130A 0.156349 131A 0.159032 132A 0.159509
3773 133A 0.162141 134A 0.164346 135A 0.167761
3774 136A 0.169943 137A 0.172086 138A 0.172945
3775 139A 0.177231 140A 0.178936 141A 0.181393
3776 142A 0.184443 143A 0.186075 144A 0.187557
3777 145A 0.190269 146A 0.190922 147A 0.191787
3778 148A 0.195945 149A 0.198664 150A 0.199465
3779 151A 0.200895 152A 0.202503 153A 0.206654
3780 154A 0.210563 155A 0.213055 156A 0.215610
3781 157A 0.217768 158A 0.220190 159A 0.222385
3782 160A 0.222714 161A 0.225955 162A 0.229101
3783 163A 0.230445 164A 0.232633 165A 0.235565
3784 166A 0.237373 167A 0.240262 168A 0.240705
3785 169A 0.242681 170A 0.243836 171A 0.246722
3786 172A 0.247620 173A 0.249035 174A 0.251423
3787 175A 0.252643 176A 0.254262 177A 0.259124
3788 178A 0.260268 179A 0.262458 180A 0.264194
3789 181A 0.266776 182A 0.267890 183A 0.268638
3790 184A 0.269754 185A 0.272975 186A 0.276670
3791 187A 0.277950 188A 0.281139 189A 0.282481
3792 190A 0.283952 191A 0.284884 192A 0.286025
3793 193A 0.287319 194A 0.289799 195A 0.293599
3794 196A 0.296197 197A 0.299673 198A 0.300941
3795 199A 0.301443 200A 0.302549 201A 0.304085
3796 202A 0.307236 203A 0.311400 204A 0.312894
3797 205A 0.315522 206A 0.316708 207A 0.318089
3798 208A 0.318946 209A 0.322897 210A 0.324293
3799 211A 0.325576 212A 0.328213 213A 0.330906
3800 214A 0.332681 215A 0.335054 216A 0.336584
3801 217A 0.338713 218A 0.339562 219A 0.342361
3802 220A 0.343217 221A 0.344810 222A 0.347377
3803 223A 0.349973 224A 0.350575 225A 0.354307
3804 226A 0.356094 227A 0.358106 228A 0.361668
3805 229A 0.361970 230A 0.363378 231A 0.365757
3806 232A 0.367776 233A 0.369144 234A 0.369385
3807 235A 0.371198 236A 0.372600 237A 0.375203
3808 238A 0.376801 239A 0.378552 240A 0.380242
3809 241A 0.381434 242A 0.384565 243A 0.385951
3810 244A 0.386656 245A 0.389295 246A 0.392188
3811 247A 0.394295 248A 0.395125 249A 0.397166
3812 250A 0.397562 251A 0.398468 252A 0.401235
3813 253A 0.403136 254A 0.405890 255A 0.408149
3814 256A 0.408759 257A 0.410528 258A 0.412405
3815 259A 0.414341 260A 0.415766 261A 0.417958
3816 262A 0.420002 263A 0.421141 264A 0.422355
3817 265A 0.425289 266A 0.428305 267A 0.431464
3818 268A 0.432847 269A 0.433469 270A 0.434824
3819 271A 0.439005 272A 0.440784 273A 0.441334
3820 274A 0.442527 275A 0.444466 276A 0.445103
3821 277A 0.446779 278A 0.448158 279A 0.450504
3822 280A 0.451155 281A 0.454568 282A 0.455132
3823 283A 0.457272 284A 0.459791 285A 0.462013
3824 286A 0.463751 287A 0.467396 288A 0.467951
3825 289A 0.470976 290A 0.473029 291A 0.474457
3826 292A 0.474618 293A 0.479293 294A 0.480129
3827 295A 0.481544 296A 0.481916 297A 0.483429
3828 298A 0.486337 299A 0.488486 300A 0.490422
3829 301A 0.492222 302A 0.493229 303A 0.495562
3830 304A 0.498468 305A 0.499138 306A 0.500751
3831 307A 0.502977 308A 0.505178 309A 0.506607
3832 310A 0.507788 311A 0.508552 312A 0.510284
3833 313A 0.513901 314A 0.514533 315A 0.517458
3834 316A 0.519929 317A 0.521545 318A 0.523606
3835 319A 0.526440 320A 0.527015 321A 0.528863
3836 322A 0.530424 323A 0.532347 324A 0.533338
3837 325A 0.533896 326A 0.536918 327A 0.538597
3838 328A 0.541455 329A 0.543302 330A 0.544493
3839 331A 0.546605 332A 0.547583 333A 0.548324
3840 334A 0.551890 335A 0.554446 336A 0.555328
3841 337A 0.558268 338A 0.558806 339A 0.559686
3842 340A 0.561640 341A 0.563302 342A 0.566849
3843 343A 0.567852 344A 0.571197 345A 0.572800
3844 346A 0.574701 347A 0.575790 348A 0.576423
3845 349A 0.578826 350A 0.580291 351A 0.582005
3846 352A 0.582947 353A 0.584830 354A 0.586768
3847 355A 0.588420 356A 0.589440 357A 0.591608
3848 358A 0.591931 359A 0.593304 360A 0.595678
3849 361A 0.598699 362A 0.599501 363A 0.602120
3850 364A 0.603369 365A 0.604972 366A 0.607106
3851 367A 0.610164 368A 0.611248 369A 0.612219
3852 370A 0.613961 371A 0.614971 372A 0.617887
3853 373A 0.619000 374A 0.619968 375A 0.623069
3854 376A 0.625159 377A 0.626597 378A 0.628741
3855 379A 0.630913 380A 0.632436 381A 0.635425
3856 382A 0.637404 383A 0.640142 384A 0.640345
3857 385A 0.642319 386A 0.645337 387A 0.647400
3858 388A 0.649051 389A 0.651529 390A 0.654039
3859 391A 0.654157 392A 0.656418 393A 0.658108
3860 394A 0.659023 395A 0.662822 396A 0.663891
3861 397A 0.666769 398A 0.667119 399A 0.668143
3862 400A 0.669083 401A 0.672787 402A 0.675280
3863 403A 0.676831 404A 0.676970 405A 0.678049
3864 406A 0.680928 407A 0.684181 408A 0.686790
3865 409A 0.688390 410A 0.689372 411A 0.692390
3866 412A 0.692781 413A 0.694932 414A 0.696387
3867 415A 0.697735 416A 0.700790 417A 0.704418
3868 418A 0.707501 419A 0.709242 420A 0.710897
3869 421A 0.712655 422A 0.714219 423A 0.715583
3870 424A 0.716994 425A 0.718632 426A 0.721431
3871 427A 0.725488 428A 0.726105 429A 0.729019
3872 430A 0.730867 431A 0.732822 432A 0.734456
3873 433A 0.735367 434A 0.736998 435A 0.740514
3874 436A 0.744130 437A 0.745414 438A 0.745974
3875 439A 0.747096 440A 0.749803 441A 0.750437
3876 442A 0.752819 443A 0.753765 444A 0.755881
3877 445A 0.759382 446A 0.760643 447A 0.761712
3878 448A 0.763683 449A 0.765425 450A 0.765924
3879 451A 0.767704 452A 0.769473 453A 0.773246
3880 454A 0.775437 455A 0.776415 456A 0.779486
3881 457A 0.780375 458A 0.783236 459A 0.785819
3882 460A 0.786153 461A 0.788850 462A 0.791419
3883 463A 0.792445 464A 0.793438 465A 0.795761
3884 466A 0.797858 467A 0.799459 468A 0.800348
3885 469A 0.802495 470A 0.805075 471A 0.806793
3886 472A 0.807906 473A 0.810615 474A 0.812212
3887 475A 0.815091 476A 0.817390 477A 0.820179
3888 478A 0.820915 479A 0.823623 480A 0.824278
3889 481A 0.826234 482A 0.826720 483A 0.828228
3890 484A 0.829864 485A 0.834138 486A 0.834754
3891 487A 0.838959 488A 0.840335 489A 0.842215
3892 490A 0.844817 491A 0.845537 492A 0.846832
3893 493A 0.848222 494A 0.852060 495A 0.852441
3894 496A 0.853891 497A 0.857861 498A 0.859996
3895 499A 0.862190 500A 0.862908 501A 0.865189
3896 502A 0.865816 503A 0.867248 504A 0.872708
3897 505A 0.875034 506A 0.878042 507A 0.879598
3898 508A 0.882038 509A 0.883540 510A 0.886221
3899 511A 0.886807 512A 0.891229 513A 0.891717
3900 514A 0.894085 515A 0.895961 516A 0.897166
3901 517A 0.898940 518A 0.902229 519A 0.904201
3902 520A 0.906497 521A 0.908443 522A 0.910978
3903 523A 0.911401 524A 0.914138 525A 0.915911
3904 526A 0.918899 527A 0.919452 528A 0.920488
3905 529A 0.923251 530A 0.925096 531A 0.928160
3906 532A 0.930399 533A 0.930878 534A 0.934171
3907 535A 0.939069 536A 0.940192 537A 0.942358
3908 538A 0.942856 539A 0.946443 540A 0.947145
3909 541A 0.952619 542A 0.953792 543A 0.954956
3910 544A 0.958003 545A 0.962171 546A 0.963065
3911 547A 0.967845 548A 0.968610 549A 0.972180
3912 550A 0.974057 551A 0.975364 552A 0.978074
3913 553A 0.979553 554A 0.980596 555A 0.983514
3914 556A 0.985927 557A 0.987473 558A 0.987902
3915 559A 0.990684 560A 0.993141 561A 0.993961
3916 562A 0.997137 563A 0.998848 564A 0.999472
3917 565A 1.003103 566A 1.004792 567A 1.006371
3918 568A 1.008498 569A 1.010229 570A 1.014646
3919 571A 1.015100 572A 1.016693 573A 1.017839
3920 574A 1.020577 575A 1.022840 576A 1.024695
3921 577A 1.025347 578A 1.026963 579A 1.030009
3922 580A 1.033177 581A 1.035305 582A 1.036376
3923 583A 1.037361 584A 1.040511 585A 1.042579
3924 586A 1.044320 587A 1.044703 588A 1.047193
3925 589A 1.048592 590A 1.049896 591A 1.050656
3926 592A 1.053432 593A 1.055805 594A 1.058039
3927 595A 1.059300 596A 1.062933 597A 1.064152
3928 598A 1.064900 599A 1.065769 600A 1.068503
3929 601A 1.069741 602A 1.072191 603A 1.072842
3930 604A 1.074689 605A 1.077634 606A 1.081034
3931 607A 1.081979 608A 1.084112 609A 1.085954
3932 610A 1.086293 611A 1.090248 612A 1.092255
3933 613A 1.093630 614A 1.095095 615A 1.096329
3934 616A 1.097812 617A 1.098556 618A 1.102197
3935 619A 1.103265 620A 1.104642 621A 1.108624
3936 622A 1.109456 623A 1.110336 624A 1.111306
3937 625A 1.115613 626A 1.116283 627A 1.117931
3938 628A 1.119620 629A 1.120663 630A 1.122494
3939 631A 1.124765 632A 1.126154 633A 1.128443
3940 634A 1.129523 635A 1.130319 636A 1.135072
3941 637A 1.135836 638A 1.137047 639A 1.140307
3942 640A 1.142218 641A 1.143548 642A 1.146753
3943 643A 1.148654 644A 1.149527 645A 1.152209
3944 646A 1.155335 647A 1.157644 648A 1.158162
3945 649A 1.159690 650A 1.161877 651A 1.162759
3946 652A 1.164672 653A 1.166256 654A 1.167930
3947 655A 1.169751 656A 1.170274 657A 1.171242
3948 658A 1.172556 659A 1.173534 660A 1.176877
3949 661A 1.178187 662A 1.179536 663A 1.181393
3950 664A 1.182265 665A 1.183285 666A 1.185807
3951 667A 1.187512 668A 1.188437 669A 1.190188
3952 670A 1.192451 671A 1.193993 672A 1.196399
3953 673A 1.197800 674A 1.199241 675A 1.199838
3954 676A 1.202556 677A 1.206258 678A 1.207145
3955 679A 1.208605 680A 1.209314 681A 1.211309
3956 682A 1.212101 683A 1.213413 684A 1.216710
3957 685A 1.217781 686A 1.219551 687A 1.221670
3958 688A 1.223518 689A 1.224693 690A 1.225669
3959 691A 1.227381 692A 1.228027 693A 1.230128
3960 694A 1.231026 695A 1.233949 696A 1.234849
3961 697A 1.237742 698A 1.239780 699A 1.241627
3962 700A 1.242812 701A 1.243966 702A 1.245597
3963 703A 1.246225 704A 1.247392 705A 1.248696
3964 706A 1.250020 707A 1.252389 708A 1.252993
3965 709A 1.254096 710A 1.255079 711A 1.257041
3966 712A 1.258563 713A 1.260655 714A 1.262711
3967 715A 1.263723 716A 1.264416 717A 1.266367
3968 718A 1.269071 719A 1.270822 720A 1.271825
3969 721A 1.274145 722A 1.275246 723A 1.277712
3970 724A 1.278857 725A 1.279685 726A 1.281705
3971 727A 1.283060 728A 1.284362 729A 1.285000
3972 730A 1.290152 731A 1.291835 732A 1.292681
3973 733A 1.293833 734A 1.296299 735A 1.298752
3974 736A 1.300712 737A 1.302691 738A 1.304086
3975 739A 1.305457 740A 1.308355 741A 1.309254
3976 742A 1.310525 743A 1.312796 744A 1.314387
3977 745A 1.317215 746A 1.317735 747A 1.319906
3978 748A 1.320917 749A 1.322848 750A 1.325647
3979 751A 1.327630 752A 1.329610 753A 1.332165
3980 754A 1.335011 755A 1.335710 756A 1.336731
3981 757A 1.339450 758A 1.340742 759A 1.343049
3982 760A 1.345077 761A 1.346356 762A 1.347843
3983 763A 1.352211 764A 1.352868 765A 1.354542
3984 766A 1.355041 767A 1.357275 768A 1.359950
3985 769A 1.360108 770A 1.361221 771A 1.363862
3986 772A 1.366044 773A 1.369990 774A 1.371895
3987 775A 1.374909 776A 1.379422 777A 1.380783
3988 778A 1.381769 779A 1.384693 780A 1.386090
3989 781A 1.387477 782A 1.389724 783A 1.391347
3990 784A 1.392640 785A 1.394521 786A 1.395089
3991 787A 1.396412 788A 1.398770 789A 1.401714
3992 790A 1.401920 791A 1.404691 792A 1.407451
3993 793A 1.409005 794A 1.409487 795A 1.411679
3994 796A 1.413776 797A 1.414129 798A 1.417957
3995 799A 1.418533 800A 1.420670 801A 1.422236
3996 802A 1.423384 803A 1.424305 804A 1.425698
3997 805A 1.427043 806A 1.428169 807A 1.429296
3998 808A 1.432283 809A 1.434217 810A 1.434751
3999 811A 1.435626 812A 1.438007 813A 1.438502
4000 814A 1.439745 815A 1.441295 816A 1.443473
4001 817A 1.444855 818A 1.447137 819A 1.448514
4002 820A 1.449273 821A 1.451035 822A 1.453428
4003 823A 1.454869 824A 1.455956 825A 1.457480
4004 826A 1.459247 827A 1.462161 828A 1.463441
4005 829A 1.464295 830A 1.466345 831A 1.467116
4006 832A 1.468404 833A 1.468887 834A 1.471368
4007 835A 1.472397 836A 1.474341 837A 1.476126
4008 838A 1.476786 839A 1.478521 840A 1.481395
4009 841A 1.482467 842A 1.484731 843A 1.486715
4010 844A 1.487686 845A 1.488153 846A 1.489649
4011 847A 1.490575 848A 1.492927 849A 1.495011
4012 850A 1.496122 851A 1.496858 852A 1.498560
4013 853A 1.500379 854A 1.501204 855A 1.501773
4014 856A 1.503247 857A 1.504930 858A 1.505935
4015 859A 1.508429 860A 1.509861 861A 1.510168
4016 862A 1.512191 863A 1.514126 864A 1.514821
4017 865A 1.517211 866A 1.519104 867A 1.520990
4018 868A 1.522519 869A 1.524183 870A 1.526801
4019 871A 1.527555 872A 1.530680 873A 1.531215
4020 874A 1.533808 875A 1.535840 876A 1.536045
4021 877A 1.536747 878A 1.539852 879A 1.541883
4022 880A 1.543074 881A 1.545490 882A 1.546125
4023 883A 1.547554 884A 1.549193 885A 1.552034
4024 886A 1.554564 887A 1.555837 888A 1.557700
4025 889A 1.559076 890A 1.559252 891A 1.562667
4026 892A 1.563920 893A 1.565864 894A 1.567377
4027 895A 1.569117 896A 1.570108 897A 1.572258
4028 898A 1.573885 899A 1.575667 900A 1.577501
4029 901A 1.581114 902A 1.582710 903A 1.584989
4030 904A 1.586853 905A 1.588218 906A 1.590339
4031 907A 1.592190 908A 1.592473 909A 1.597472
4032 910A 1.598554 911A 1.599261 912A 1.600633
4033 913A 1.603644 914A 1.606235 915A 1.607395
4034 916A 1.608252 917A 1.609140 918A 1.610748
4035 919A 1.611540 920A 1.614040 921A 1.615661
4036 922A 1.616189 923A 1.618596 924A 1.621996
4037 925A 1.622878 926A 1.623871 927A 1.625325
4038 928A 1.628010 929A 1.628639 930A 1.630682
4039 931A 1.632627 932A 1.634459 933A 1.636523
4040 934A 1.637384 935A 1.641653 936A 1.643953
4041 937A 1.644458 938A 1.647135 939A 1.648052
4042 940A 1.650597 941A 1.651346 942A 1.653942
4043 943A 1.656366 944A 1.657077 945A 1.658668
4044 946A 1.661013 947A 1.662173 948A 1.665413
4045 949A 1.668323 950A 1.669579 951A 1.671477
4046 952A 1.672961 953A 1.675509 954A 1.676483
4047 955A 1.678696 956A 1.679905 957A 1.682172
4048 958A 1.684403 959A 1.687583 960A 1.690174
4049 961A 1.691651 962A 1.693149 963A 1.693869
4050 964A 1.695185 965A 1.696711 966A 1.698254
4051 967A 1.702370 968A 1.703453 969A 1.705503
4052 970A 1.707843 971A 1.708796 972A 1.711345
4053 973A 1.716082 974A 1.716815 975A 1.718112
4054 976A 1.720409 977A 1.722164 978A 1.725269
4055 979A 1.728941 980A 1.729464 981A 1.730340
4056 982A 1.733504 983A 1.736517 984A 1.738019
4057 985A 1.738994 986A 1.739738 987A 1.742416
4058 988A 1.744785 989A 1.746849 990A 1.748156
4059 991A 1.749670 992A 1.750845 993A 1.753893
4060 994A 1.756117 995A 1.758068 996A 1.758679
4061 997A 1.762967 998A 1.764578 999A 1.765152
4062 1000A 1.766075 1001A 1.769500 1002A 1.770639
4063 1003A 1.772200 1004A 1.774675 1005A 1.777503
4064 1006A 1.779853 1007A 1.781637 1008A 1.783530
4065 1009A 1.784999 1010A 1.787276 1011A 1.788412
4066 1012A 1.791111 1013A 1.793061 1014A 1.794843
4067 1015A 1.795659 1016A 1.798261 1017A 1.800608
4068 1018A 1.803360 1019A 1.804409 1020A 1.806645
4069 1021A 1.807453 1022A 1.811153 1023A 1.812013
4070 1024A 1.814750 1025A 1.814788 1026A 1.815997
4071 1027A 1.819135 1028A 1.821234 1029A 1.823626
4072 1030A 1.824976 1031A 1.826535 1032A 1.828474
4073 1033A 1.830530 1034A 1.832875 1035A 1.833836
4074 1036A 1.835047 1037A 1.839495 1038A 1.840747
4075 1039A 1.843022 1040A 1.845248 1041A 1.851552
4076 1042A 1.852947 1043A 1.855170 1044A 1.856834
4077 1045A 1.858186 1046A 1.860600 1047A 1.862058
4078 1048A 1.862400 1049A 1.864678 1050A 1.867521
4079 1051A 1.868902 1052A 1.871952 1053A 1.874185
4080 1054A 1.875809 1055A 1.879492 1056A 1.882689
4081 1057A 1.885983 1058A 1.886908 1059A 1.889457
4082 1060A 1.892910 1061A 1.894369 1062A 1.899391
4083 1063A 1.900900 1064A 1.904769 1065A 1.906799
4084 1066A 1.908557 1067A 1.911579 1068A 1.914890
4085 1069A 1.918406 1070A 1.920003 1071A 1.922324
4086 1072A 1.924337 1073A 1.926816 1074A 1.928736
4087 1075A 1.931916 1076A 1.933236 1077A 1.935753
4088 1078A 1.938089 1079A 1.939977 1080A 1.941161
4089 1081A 1.943891 1082A 1.947695 1083A 1.950440
4090 1084A 1.952683 1085A 1.954243 1086A 1.959215
4091 1087A 1.960444 1088A 1.962988 1089A 1.965178
4092 1090A 1.970525 1091A 1.972030 1092A 1.973387
4093 1093A 1.975979 1094A 1.979465 1095A 1.981290
4094 1096A 1.982219 1097A 1.987274 1098A 1.990872
4095 1099A 1.992803 1100A 1.995726 1101A 1.997104
4096 1102A 2.001234 1103A 2.003493 1104A 2.008098
4097 1105A 2.010498 1106A 2.014085 1107A 2.016635
4098 1108A 2.018658 1109A 2.023529 1110A 2.024205
4099 1111A 2.028172 1112A 2.029920 1113A 2.031243
4100 1114A 2.035057 1115A 2.037061 1116A 2.039522
4101 1117A 2.042198 1118A 2.044825 1119A 2.046741
4102 1120A 2.050194 1121A 2.053969 1122A 2.055938
4103 1123A 2.057774 1124A 2.062305 1125A 2.065631
4104 1126A 2.069792 1127A 2.071814 1128A 2.073792
4105 1129A 2.077845 1130A 2.079393 1131A 2.080490
4106 1132A 2.081712 1133A 2.082733 1134A 2.084534
4107 1135A 2.087691 1136A 2.088923 1137A 2.093058
4108 1138A 2.094379 1139A 2.097547 1140A 2.100717
4109 1141A 2.102111 1142A 2.103383 1143A 2.105399
4110 1144A 2.107060 1145A 2.108906 1146A 2.109919
4111 1147A 2.112899 1148A 2.116644 1149A 2.118061
4112 1150A 2.119044 1151A 2.121728 1152A 2.125991
4113 1153A 2.126266 1154A 2.127303 1155A 2.130854
4114 1156A 2.133849 1157A 2.135350 1158A 2.138244
4115 1159A 2.140206 1160A 2.142414 1161A 2.145686
4116 1162A 2.146693 1163A 2.150012 1164A 2.150758
4117 1165A 2.153960 1166A 2.156431 1167A 2.158706
4118 1168A 2.160319 1169A 2.162635 1170A 2.165546
4119 1171A 2.168305 1172A 2.170588 1173A 2.173085
4120 1174A 2.173329 1175A 2.177272 1176A 2.179855
4121 1177A 2.180429 1178A 2.182053 1179A 2.185966
4122 1180A 2.188446 1181A 2.189165 1182A 2.193504
4123 1183A 2.195058 1184A 2.197570 1185A 2.198835
4124 1186A 2.202329 1187A 2.205095 1188A 2.207795
4125 1189A 2.211258 1190A 2.215329 1191A 2.217682
4126 1192A 2.219863 1193A 2.221096 1194A 2.222420
4127 1195A 2.226288 1196A 2.226910 1197A 2.228841
4128 1198A 2.232655 1199A 2.234616 1200A 2.236542
4129 1201A 2.237974 1202A 2.242881 1203A 2.245619
4130 1204A 2.247790 1205A 2.250665 1206A 2.253806
4131 1207A 2.255982 1208A 2.258709 1209A 2.259750
4132 1210A 2.263320 1211A 2.264638 1212A 2.266743
4133 1213A 2.270256 1214A 2.272828 1215A 2.273587
4134 1216A 2.275609 1217A 2.278978 1218A 2.281037
4135 1219A 2.284386 1220A 2.286907 1221A 2.289380
4136 1222A 2.291637 1223A 2.295465 1224A 2.297543
4137 1225A 2.298570 1226A 2.300277 1227A 2.304188
4138 1228A 2.306720 1229A 2.311327 1230A 2.312149
4139 1231A 2.314799 1232A 2.317941 1233A 2.320700
4140 1234A 2.323262 1235A 2.325898 1236A 2.326284
4141 1237A 2.328603 1238A 2.332612 1239A 2.333864
4142 1240A 2.335956 1241A 2.336522 1242A 2.338014
4143 1243A 2.339437 1244A 2.342874 1245A 2.344498
4144 1246A 2.346084 1247A 2.350472 1248A 2.351369
4145 1249A 2.353000 1250A 2.354509 1251A 2.355221
4146 1252A 2.361333 1253A 2.361718 1254A 2.363968
4147 1255A 2.366607 1256A 2.366650 1257A 2.368578
4148 1258A 2.370758 1259A 2.373795 1260A 2.375032
4149 1261A 2.377958 1262A 2.380761 1263A 2.383506
4150 1264A 2.386188 1265A 2.388814 1266A 2.389652
4151 1267A 2.390438 1268A 2.394512 1269A 2.396404
4152 1270A 2.397208 1271A 2.399159 1272A 2.401630
4153 1273A 2.405038 1274A 2.405440 1275A 2.409449
4154 1276A 2.409783 1277A 2.411932 1278A 2.414989
4155 1279A 2.417502 1280A 2.419202 1281A 2.421098
4156 1282A 2.423828 1283A 2.426214 1284A 2.427825
4157 1285A 2.429230 1286A 2.431963 1287A 2.433339
4158 1288A 2.437670 1289A 2.438513 1290A 2.440568
4159 1291A 2.443798 1292A 2.444944 1293A 2.446131
4160 1294A 2.450330 1295A 2.451792 1296A 2.452213
4161 1297A 2.453294 1298A 2.456533 1299A 2.458808
4162 1300A 2.462169 1301A 2.465559 1302A 2.468073
4163 1303A 2.468532 1304A 2.472636 1305A 2.474055
4164 1306A 2.478757 1307A 2.479383 1308A 2.482393
4165 1309A 2.483222 1310A 2.485986 1311A 2.488761
4166 1312A 2.490608 1313A 2.492487 1314A 2.493626
4167 1315A 2.497134 1316A 2.499537 1317A 2.500292
4168 1318A 2.501259 1319A 2.503596 1320A 2.504209
4169 1321A 2.506518 1322A 2.510189 1323A 2.512113
4170 1324A 2.514010 1325A 2.514849 1326A 2.519061
4171 1327A 2.520179 1328A 2.523166 1329A 2.526056
4172 1330A 2.527693 1331A 2.529846 1332A 2.530459
4173 1333A 2.533256 1334A 2.533886 1335A 2.535102
4174 1336A 2.536490 1337A 2.540035 1338A 2.541316
4175 1339A 2.544947 1340A 2.545816 1341A 2.546787
4176 1342A 2.549286 1343A 2.549949 1344A 2.551665
4177 1345A 2.556847 1346A 2.558860 1347A 2.559753
4178 1348A 2.561540 1349A 2.565208 1350A 2.566322
4179 1351A 2.567205 1352A 2.569445 1353A 2.571212
4180 1354A 2.573056 1355A 2.573664 1356A 2.575110
4181 1357A 2.576928 1358A 2.578278 1359A 2.579839
4182 1360A 2.583872 1361A 2.587301 1362A 2.588231
4183 1363A 2.590899 1364A 2.591812 1365A 2.592289
4184 1366A 2.596063 1367A 2.596498 1368A 2.599131
4185 1369A 2.600657 1370A 2.603285 1371A 2.604604
4186 1372A 2.605234 1373A 2.608141 1374A 2.608766
4187 1375A 2.611222 1376A 2.612923 1377A 2.613781
4188 1378A 2.615473 1379A 2.617368 1380A 2.619694
4189 1381A 2.622713 1382A 2.626667 1383A 2.629513
4190 1384A 2.629915 1385A 2.632692 1386A 2.633499
4191 1387A 2.636359 1388A 2.637158 1389A 2.637497
4192 1390A 2.642296 1391A 2.642610 1392A 2.647007
4193 1393A 2.648756 1394A 2.649485 1395A 2.650743
4194 1396A 2.652050 1397A 2.652845 1398A 2.653526
4195 1399A 2.658050 1400A 2.660436 1401A 2.661066
4196 1402A 2.663295 1403A 2.664623 1404A 2.665365
4197 1405A 2.668369 1406A 2.669183 1407A 2.673227
4198 1408A 2.676737 1409A 2.679333 1410A 2.680542
4199 1411A 2.683585 1412A 2.684819 1413A 2.685964
4200 1414A 2.688128 1415A 2.688911 1416A 2.690504
4201 1417A 2.692095 1418A 2.695327 1419A 2.700446
4202 1420A 2.701184 1421A 2.706204 1422A 2.710722
4203 1423A 2.710940 1424A 2.712678 1425A 2.713769
4204 1426A 2.717107 1427A 2.718221 1428A 2.719883
4205 1429A 2.722808 1430A 2.723120 1431A 2.725366
4206 1432A 2.728737 1433A 2.730637 1434A 2.732930
4207 1435A 2.737555 1436A 2.738959 1437A 2.741031
4208 1438A 2.741947 1439A 2.742455 1440A 2.744787
4209 1441A 2.749207 1442A 2.751472 1443A 2.752377
4210 1444A 2.753768 1445A 2.758045 1446A 2.760064
4211 1447A 2.762298 1448A 2.763018 1449A 2.766839
4212 1450A 2.769561 1451A 2.771558 1452A 2.772816
4213 1453A 2.774968 1454A 2.776678 1455A 2.776961
4214 1456A 2.779530 1457A 2.781791 1458A 2.783947
4215 1459A 2.788021 1460A 2.789088 1461A 2.789441
4216 1462A 2.793061 1463A 2.793927 1464A 2.795321
4217 1465A 2.796503 1466A 2.800488 1467A 2.801142
4218 1468A 2.804062 1469A 2.805602 1470A 2.806410
4219 1471A 2.812270 1472A 2.813173 1473A 2.815203
4220 1474A 2.817938 1475A 2.820538 1476A 2.821129
4221 1477A 2.823233 1478A 2.826469 1479A 2.828383
4222 1480A 2.831443 1481A 2.835287 1482A 2.835698
4223 1483A 2.837331 1484A 2.840193 1485A 2.841386
4224 1486A 2.844596 1487A 2.847774 1488A 2.850152
4225 1489A 2.851925 1490A 2.852953 1491A 2.855747
4226 1492A 2.857121 1493A 2.858025 1494A 2.861564
4227 1495A 2.864033 1496A 2.866818 1497A 2.867687
4228 1498A 2.868965 1499A 2.873862 1500A 2.874717
4229 1501A 2.878187 1502A 2.880849 1503A 2.883933
4230 1504A 2.886045 1505A 2.888992 1506A 2.893378
4231 1507A 2.896496 1508A 2.898344 1509A 2.901908
4232 1510A 2.905627 1511A 2.907015 1512A 2.911524
4233 1513A 2.913289 1514A 2.919305 1515A 2.924136
4234 1516A 2.925428 1517A 2.928693 1518A 2.932116
4235 1519A 2.934409 1520A 2.939488 1521A 2.946713
4236 1522A 2.948955 1523A 2.953452 1524A 2.954522
4237 1525A 2.957079 1526A 2.959339 1527A 2.962889
4238 1528A 2.966779 1529A 2.971486 1530A 2.975207
4239 1531A 2.978731 1532A 2.981291 1533A 2.985645
4240 1534A 2.987669 1535A 2.992343 1536A 2.994797
4241 1537A 2.995276 1538A 2.998349 1539A 3.000267
4242 1540A 3.005625 1541A 3.010031 1542A 3.013526
4243 1543A 3.014727 1544A 3.019288 1545A 3.021964
4244 1546A 3.025624 1547A 3.028998 1548A 3.033501
4245 1549A 3.037075 1550A 3.039595 1551A 3.042864
4246 1552A 3.043635 1553A 3.048618 1554A 3.052111
4247 1555A 3.054326 1556A 3.057658 1557A 3.057778
4248 1558A 3.061456 1559A 3.062809 1560A 3.067282
4249 1561A 3.068993 1562A 3.072926 1563A 3.074259
4250 1564A 3.077289 1565A 3.079279 1566A 3.081288
4251 1567A 3.087577 1568A 3.090274 1569A 3.091961
4252 1570A 3.092608 1571A 3.095991 1572A 3.098441
4253 1573A 3.103085 1574A 3.105300 1575A 3.107329
4254 1576A 3.109258 1577A 3.111471 1578A 3.114845
4255 1579A 3.115291 1580A 3.122223 1581A 3.124843
4256 1582A 3.129107 1583A 3.132263 1584A 3.135076
4257 1585A 3.138916 1586A 3.143357 1587A 3.147080
4258 1588A 3.148159 1589A 3.153831 1590A 3.155342
4259 1591A 3.159447 1592A 3.164120 1593A 3.166820
4260 1594A 3.173603 1595A 3.180791 1596A 3.183740
4261 1597A 3.188680 1598A 3.189871 1599A 3.196594
4262 1600A 3.210610 1601A 3.215206 1602A 3.218405
4263 1603A 3.222128 1604A 3.223747 1605A 3.226987
4264 1606A 3.234219 1607A 3.236039 1608A 3.238500
4265 1609A 3.242153 1610A 3.251850 1611A 3.255072
4266 1612A 3.256396 1613A 3.259631 1614A 3.264407
4267 1615A 3.268634 1616A 3.273402 1617A 3.278725
4268 1618A 3.280512 1619A 3.282481 1620A 3.289302
4269 1621A 3.290164 1622A 3.290910 1623A 3.298226
4270 1624A 3.301609 1625A 3.303551 1626A 3.307494
4271 1627A 3.309524 1628A 3.315451 1629A 3.317150
4272 1630A 3.322438 1631A 3.325712 1632A 3.329725
4273 1633A 3.336231 1634A 3.338455 1635A 3.343017
4274 1636A 3.347342 1637A 3.351185 1638A 3.352244
4275 1639A 3.358387 1640A 3.360273 1641A 3.365378
4276 1642A 3.369614 1643A 3.375213 1644A 3.379655
4277 1645A 3.382883 1646A 3.386641 1647A 3.387060
4278 1648A 3.389884 1649A 3.397707 1650A 3.399398
4279 1651A 3.402101 1652A 3.405839 1653A 3.409598
4280 1654A 3.411615 1655A 3.416699 1656A 3.419096
4281 1657A 3.423494 1658A 3.424014 1659A 3.425625
4282 1660A 3.430551 1661A 3.433714 1662A 3.435003
4283 1663A 3.435481 1664A 3.441994 1665A 3.448094
4284 1666A 3.450021 1667A 3.453332 1668A 3.455899
4285 1669A 3.460196 1670A 3.461041 1671A 3.461864
4286 1672A 3.467556 1673A 3.472698 1674A 3.477025
4287 1675A 3.477751 1676A 3.482663 1677A 3.486301
4288 1678A 3.490000 1679A 3.493124 1680A 3.501476
4289 1681A 3.505600 1682A 3.508765 1683A 3.513579
4290 1684A 3.517400 1685A 3.521874 1686A 3.528575
4291 1687A 3.534886 1688A 3.537742 1689A 3.544195
4292 1690A 3.546581 1691A 3.548960 1692A 3.550811
4293 1693A 3.553405 1694A 3.558476 1695A 3.561508
4294 1696A 3.564570 1697A 3.564836 1698A 3.567380
4295 1699A 3.572654 1700A 3.574055 1701A 3.578105
4296 1702A 3.582304 1703A 3.583869 1704A 3.585689
4297 1705A 3.589066 1706A 3.591083 1707A 3.593415
4298 1708A 3.595556 1709A 3.596499 1710A 3.599610
4299 1711A 3.601197 1712A 3.605373 1713A 3.607410
4300 1714A 3.610154 1715A 3.612848 1716A 3.615099
4301 1717A 3.618043 1718A 3.620385 1719A 3.623409
4302 1720A 3.625681 1721A 3.628228 1722A 3.629622
4303 1723A 3.632908 1724A 3.634101 1725A 3.635816
4304 1726A 3.637012 1727A 3.639756 1728A 3.642580
4305 1729A 3.645159 1730A 3.647284 1731A 3.649934
4306 1732A 3.652708 1733A 3.654987 1734A 3.656125
4307 1735A 3.661352 1736A 3.663245 1737A 3.664588
4308 1738A 3.667213 1739A 3.668488 1740A 3.671339
4309 1741A 3.674168 1742A 3.677168 1743A 3.679126
4310 1744A 3.681059 1745A 3.682375 1746A 3.686049
4311 1747A 3.686877 1748A 3.688584 1749A 3.688975
4312 1750A 3.693663 1751A 3.697539 1752A 3.698503
4313 1753A 3.699274 1754A 3.703937 1755A 3.704805
4314 1756A 3.708506 1757A 3.710597 1758A 3.712464
4315 1759A 3.716222 1760A 3.718432 1761A 3.720815
4316 1762A 3.721084 1763A 3.722806 1764A 3.727041
4317 1765A 3.729499 1766A 3.729852 1767A 3.731651
4318 1768A 3.734616 1769A 3.735676 1770A 3.737778
4319 1771A 3.740173 1772A 3.741702 1773A 3.745057
4320 1774A 3.746374 1775A 3.750260 1776A 3.753994
4321 1777A 3.756386 1778A 3.760764 1779A 3.761803
4322 1780A 3.768552 1781A 3.770711 1782A 3.772353
4323 1783A 3.774630 1784A 3.776674 1785A 3.778264
4324 1786A 3.780218 1787A 3.782411 1788A 3.786176
4325 1789A 3.789068 1790A 3.789694 1791A 3.794981
4326 1792A 3.796129 1793A 3.799701 1794A 3.802281
4327 1795A 3.806743 1796A 3.809129 1797A 3.810306
4328 1798A 3.818563 1799A 3.821108 1800A 3.825105
4329 1801A 3.825555 1802A 3.833567 1803A 3.835249
4330 1804A 3.838005 1805A 3.840803 1806A 3.842103
4331 1807A 3.846287 1808A 3.849139 1809A 3.850317
4332 1810A 3.851167 1811A 3.854330 1812A 3.858325
4333 1813A 3.859216 1814A 3.862026 1815A 3.863538
4334 1816A 3.865459 1817A 3.866344 1818A 3.869629
4335 1819A 3.869909 1820A 3.870804 1821A 3.872916
4336 1822A 3.873679 1823A 3.876748 1824A 3.879069
4337 1825A 3.882898 1826A 3.884633 1827A 3.885941
4338 1828A 3.888504 1829A 3.889326 1830A 3.891007
4339 1831A 3.894377 1832A 3.895190 1833A 3.896858
4340 1834A 3.899113 1835A 3.900429 1836A 3.904537
4341 1837A 3.906304 1838A 3.908147 1839A 3.911205
4342 1840A 3.912458 1841A 3.913508 1842A 3.914205
4343 1843A 3.918180 1844A 3.920650 1845A 3.922732
4344 1846A 3.924192 1847A 3.926113 1848A 3.926961
4345 1849A 3.929672 1850A 3.931287 1851A 3.932856
4346 1852A 3.934958 1853A 3.936680 1854A 3.937698
4347 1855A 3.939819 1856A 3.942425 1857A 3.945609
4348 1858A 3.946234 1859A 3.948942 1860A 3.949751
4349 1861A 3.951115 1862A 3.952691 1863A 3.954396
4350 1864A 3.957213 1865A 3.959536 1866A 3.961117
4351 1867A 3.963708 1868A 3.965504 1869A 3.966697
4352 1870A 3.967281 1871A 3.968976 1872A 3.971261
4353 1873A 3.973749 1874A 3.974798 1875A 3.976779
4354 1876A 3.978283 1877A 3.980763 1878A 3.983668
4355 1879A 3.984499 1880A 3.985325 1881A 3.987747
4356 1882A 3.988656 1883A 3.990977 1884A 3.992443
4357 1885A 3.993105 1886A 3.995975 1887A 3.997862
4358 1888A 3.999334 1889A 4.000989 1890A 4.003027
4359 1891A 4.003638 1892A 4.006181 1893A 4.007678
4360 1894A 4.007849 1895A 4.009988 1896A 4.016058
4361 1897A 4.016850 1898A 4.019972 1899A 4.022113
4362 1900A 4.023570 1901A 4.023729 1902A 4.027950
4363 1903A 4.029067 1904A 4.032361 1905A 4.035345
4364 1906A 4.037127 1907A 4.038897 1908A 4.040506
4365 1909A 4.041316 1910A 4.043039 1911A 4.045787
4366 1912A 4.048478 1913A 4.051992 1914A 4.052503
4367 1915A 4.055658 1916A 4.056508 1917A 4.057824
4368 1918A 4.060137 1919A 4.062752 1920A 4.066382
4369 1921A 4.069804 1922A 4.070784 1923A 4.072249
4370 1924A 4.073732 1925A 4.076009 1926A 4.079180
4371 1927A 4.081808 1928A 4.082155 1929A 4.086434
4372 1930A 4.087329 1931A 4.090390 1932A 4.092567
4373 1933A 4.092807 1934A 4.094736 1935A 4.097015
4374 1936A 4.100263 1937A 4.101912 1938A 4.105688
4375 1939A 4.106693 1940A 4.109566 1941A 4.111477
4376 1942A 4.114740 1943A 4.115757 1944A 4.117046
4377 1945A 4.120110 1946A 4.122769 1947A 4.123261
4378 1948A 4.124711 1949A 4.127395 1950A 4.128956
4379 1951A 4.129552 1952A 4.131703 1953A 4.133645
4380 1954A 4.136314 1955A 4.138763 1956A 4.141167
4381 1957A 4.142393 1958A 4.144067 1959A 4.146421
4382 1960A 4.147210 1961A 4.147963 1962A 4.149668
4383 1963A 4.152034 1964A 4.153662 1965A 4.154688
4384 1966A 4.155498 1967A 4.157181 1968A 4.160706
4385 1969A 4.162764 1970A 4.164672 1971A 4.165606
4386 1972A 4.168096 1973A 4.172159 1974A 4.172508
4387 1975A 4.174403 1976A 4.177432 1977A 4.179208
4388 1978A 4.180291 1979A 4.182844 1980A 4.186202
4389 1981A 4.187241 1982A 4.189476 1983A 4.190483
4390 1984A 4.192938 1985A 4.195356 1986A 4.196867
4391 1987A 4.199731 1988A 4.201418 1989A 4.203956
4392 1990A 4.205895 1991A 4.208455 1992A 4.212254
4393 1993A 4.213376 1994A 4.214601 1995A 4.214737
4394 1996A 4.216635 1997A 4.219549 1998A 4.223632
4395 1999A 4.224363 2000A 4.226517 2001A 4.228960
4396 2002A 4.230465 2003A 4.234870 2004A 4.236283
4397 2005A 4.236800 2006A 4.237924 2007A 4.241973
4398 2008A 4.243701 2009A 4.247366 2010A 4.247800
4399 2011A 4.248570 2012A 4.248877 2013A 4.250636
4400 2014A 4.252344 2015A 4.255161 2016A 4.255694
4401 2017A 4.256826 2018A 4.258046 2019A 4.261041
4402 2020A 4.263990 2021A 4.264954 2022A 4.267731
4403 2023A 4.269847 2024A 4.270853 2025A 4.272552
4404 2026A 4.274366 2027A 4.275907 2028A 4.278157
4405 2029A 4.279258 2030A 4.281980 2031A 4.282314
4406 2032A 4.284585 2033A 4.285687 2034A 4.286411
4407 2035A 4.288545 2036A 4.290634 2037A 4.293131
4408 2038A 4.293733 2039A 4.295022 2040A 4.295901
4409 2041A 4.297942 2042A 4.300336 2043A 4.301653
4410 2044A 4.304205 2045A 4.306498 2046A 4.309252
4411 2047A 4.310657 2048A 4.312903 2049A 4.314003
4412 2050A 4.315636 2051A 4.316236 2052A 4.320589
4413 2053A 4.321496 2054A 4.323146 2055A 4.323866
4414 2056A 4.327132 2057A 4.329511 2058A 4.331307
4415 2059A 4.333512 2060A 4.334011 2061A 4.335308
4416 2062A 4.339347 2063A 4.340730 2064A 4.343890
4417 2065A 4.344861 2066A 4.346295 2067A 4.348702
4418 2068A 4.350464 2069A 4.354374 2070A 4.354782
4419 2071A 4.357419 2072A 4.358933 2073A 4.362103
4420 2074A 4.363436 2075A 4.365115 2076A 4.366493
4421 2077A 4.369060 2078A 4.370791 2079A 4.374108
4422 2080A 4.376232 2081A 4.378555 2082A 4.379101
4423 2083A 4.382175 2084A 4.383250 2085A 4.386035
4424 2086A 4.386614 2087A 4.389545 2088A 4.391728
4425 2089A 4.393317 2090A 4.396273 2091A 4.397534
4426 2092A 4.398527 2093A 4.400083 2094A 4.401911
4427 2095A 4.402283 2096A 4.404582 2097A 4.407042
4428 2098A 4.408057 2099A 4.408873 2100A 4.410001
4429 2101A 4.412150 2102A 4.413947 2103A 4.416210
4430 2104A 4.419003 2105A 4.420362 2106A 4.421241
4431 2107A 4.425472 2108A 4.428342 2109A 4.429987
4432 2110A 4.430760 2111A 4.432221 2112A 4.434664
4433 2113A 4.437130 2114A 4.439935 2115A 4.440859
4434 2116A 4.444146 2117A 4.445026 2118A 4.446647
4435 2119A 4.448624 2120A 4.451634 2121A 4.452911
4436 2122A 4.454023 2123A 4.459456 2124A 4.460014
4437 2125A 4.462182 2126A 4.462951 2127A 4.465970
4438 2128A 4.467545 2129A 4.467676 2130A 4.471808
4439 2131A 4.473204 2132A 4.474933 2133A 4.476409
4440 2134A 4.478507 2135A 4.480752 2136A 4.481756
4441 2137A 4.483850 2138A 4.485210 2139A 4.486498
4442 2140A 4.489069 2141A 4.489841 2142A 4.491480
4443 2143A 4.492639 2144A 4.496270 2145A 4.498061
4444 2146A 4.499668 2147A 4.503282 2148A 4.504090
4445 2149A 4.505663 2150A 4.506285 2151A 4.507697
4446 2152A 4.509448 2153A 4.510706 2154A 4.514131
4447 2155A 4.516605 2156A 4.518128 2157A 4.519541
4448 2158A 4.521273 2159A 4.522537 2160A 4.526613
4449 2161A 4.528011 2162A 4.529479 2163A 4.530755
4450 2164A 4.533151 2165A 4.534712 2166A 4.535615
4451 2167A 4.537878 2168A 4.541077 2169A 4.543067
4452 2170A 4.545598 2171A 4.546718 2172A 4.547934
4453 2173A 4.548841 2174A 4.551424 2175A 4.554842
4454 2176A 4.557140 2177A 4.558720 2178A 4.559928
4455 2179A 4.560953 2180A 4.562315 2181A 4.563273
4456 2182A 4.564819 2183A 4.565452 2184A 4.566825
4457 2185A 4.572384 2186A 4.574370 2187A 4.575005
4458 2188A 4.575848 2189A 4.577370 2190A 4.578539
4459 2191A 4.581071 2192A 4.581565 2193A 4.583424
4460 2194A 4.584482 2195A 4.587910 2196A 4.588883
4461 2197A 4.590293 2198A 4.591809 2199A 4.594022
4462 2200A 4.595455 2201A 4.598225 2202A 4.599924
4463 2203A 4.600542 2204A 4.601510 2205A 4.603977
4464 2206A 4.604872 2207A 4.606962 2208A 4.610288
4465 2209A 4.611218 2210A 4.612820 2211A 4.615329
4466 2212A 4.615829 2213A 4.618509 2214A 4.620340
4467 2215A 4.622056 2216A 4.623780 2217A 4.625713
4468 2218A 4.627013 2219A 4.629129 2220A 4.630944
4469 2221A 4.632751 2222A 4.634601 2223A 4.635408
4470 2224A 4.638282 2225A 4.639018 2226A 4.640421
4471 2227A 4.642055 2228A 4.642240 2229A 4.645551
4472 2230A 4.648001 2231A 4.648458 2232A 4.649355
4473 2233A 4.652277 2234A 4.652574 2235A 4.654266
4474 2236A 4.657703 2237A 4.658727 2238A 4.659809
4475 2239A 4.660525 2240A 4.662752 2241A 4.664508
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4776 3142A 7.417305 3143A 7.419598 3144A 7.419773
4777 3145A 7.422978 3146A 7.425525 3147A 7.428943
4778 3148A 7.433366 3149A 7.437774 3150A 7.441197
4779 3151A 7.444613 3152A 7.453491 3153A 7.458690
4780 3154A 7.461811 3155A 7.464797 3156A 7.469152
4781 3157A 7.469641 3158A 7.477897 3159A 7.480516
4782 3160A 7.484316 3161A 7.488065 3162A 7.491942
4783 3163A 7.503175 3164A 7.508711 3165A 7.513419
4784 3166A 7.521039 3167A 7.524826 3168A 7.530982
4785 3169A 7.545219 3170A 7.548022 3171A 7.552325
4786 3172A 7.555271 3173A 7.557862 3174A 7.563554
4787 3175A 7.567240 3176A 7.571675 3177A 7.576150
4788 3178A 7.577883 3179A 7.578448 3180A 7.582817
4789 3181A 7.587853 3182A 7.593837 3183A 7.594223
4790 3184A 7.598098 3185A 7.599551 3186A 7.604371
4791 3187A 7.612362 3188A 7.615492 3189A 7.617361
4792 3190A 7.625044 3191A 7.625197 3192A 7.632929
4793 3193A 7.637001 3194A 7.640990 3195A 7.650099
4794 3196A 7.661831 3197A 7.666563 3198A 7.668863
4795 3199A 7.678887 3200A 7.681565 3201A 7.686242
4796 3202A 7.688393 3203A 7.703036 3204A 7.703958
4797 3205A 7.713564 3206A 7.721023 3207A 7.725569
4798 3208A 7.727663 3209A 7.731423 3210A 7.735963
4799 3211A 7.737448 3212A 7.744051 3213A 7.745859
4800 3214A 7.749395 3215A 7.751985 3216A 7.755122
4801 3217A 7.759494 3218A 7.760420 3219A 7.765015
4802 3220A 7.768405 3221A 7.772386 3222A 7.773221
4803 3223A 7.775505 3224A 7.777085 3225A 7.783139
4804 3226A 7.785442 3227A 7.786943 3228A 7.788967
4805 3229A 7.793265 3230A 7.795507 3231A 7.799893
4806 3232A 7.800920 3233A 7.806210 3234A 7.809554
4807 3235A 7.813994 3236A 7.816589 3237A 7.820780
4808 3238A 7.822115 3239A 7.824476 3240A 7.828252
4809 3241A 7.832139 3242A 7.835076 3243A 7.838358
4810 3244A 7.842980 3245A 7.845599 3246A 7.849717
4811 3247A 7.852306 3248A 7.859552 3249A 7.861305
4812 3250A 7.866172 3251A 7.871076 3252A 7.874676
4813 3253A 7.879885 3254A 7.922766 3255A 7.934980
4814 3256A 7.956501 3257A 7.965668 3258A 7.970623
4815 3259A 7.977461 3260A 7.983257 3261A 7.990471
4816 3262A 7.992453 3263A 7.997313 3264A 8.011929
4817 3265A 8.016919 3266A 8.025129 3267A 8.038655
4818 3268A 8.041871 3269A 8.043772 3270A 8.052421
4819 3271A 8.065856 3272A 8.075542 3273A 8.119350
4820 3274A 8.128447 3275A 8.138369 3276A 8.143418
4821 3277A 8.148619 3278A 8.149540 3279A 8.152079
4822 3280A 8.160722 3281A 8.167436 3282A 8.171409
4823 3283A 8.177035 3284A 8.178702 3285A 8.192141
4824 3286A 8.193568 3287A 8.197724 3288A 8.205649
4825 3289A 8.215893 3290A 8.225210 3291A 8.227591
4826 3292A 8.233333 3293A 8.241381 3294A 8.244839
4827 3295A 8.255537 3296A 8.260514 3297A 8.266402
4828 3298A 8.267483 3299A 8.273557 3300A 8.276540
4829 3301A 8.280548 3302A 8.282794 3303A 8.298034
4830 3304A 8.303761 3305A 8.308812 3306A 8.316548
4831 3307A 8.318828 3308A 8.335959 3309A 8.357149
4832 3310A 8.369153 3311A 8.372488 3312A 8.392409
4833 3313A 8.399055 3314A 8.416968 3315A 8.423765
4834 3316A 8.438131 3317A 8.442634 3318A 8.447237
4835 3319A 8.452524 3320A 8.464960 3321A 8.472551
4836 3322A 8.477744 3323A 8.480242 3324A 8.492696
4837 3325A 8.501050 3326A 8.512572 3327A 8.529836
4838 3328A 8.534703 3329A 8.540185 3330A 8.550828
4839 3331A 8.568415 3332A 8.571086 3333A 8.581819
4840 3334A 8.586345 3335A 8.592222 3336A 8.595312
4841 3337A 8.598011 3338A 8.601731 3339A 8.606261
4842 3340A 8.609390 3341A 8.613458 3342A 8.630840
4843 3343A 8.660077 3344A 8.673054 3345A 8.696722
4844 3346A 8.708255 3347A 8.711325 3348A 8.716921
4845 3349A 8.720878 3350A 8.725120 3351A 8.726230
4846 3352A 8.732676 3353A 8.737239 3354A 8.738402
4847 3355A 8.744423 3356A 8.748014 3357A 8.754643
4848 3358A 8.757909 3359A 8.760827 3360A 8.766037
4849 3361A 8.778600 3362A 8.791324 3363A 8.802433
4850 3364A 9.026935 3365A 9.031244 3366A 9.043428
4851 3367A 9.048419 3368A 9.061220 3369A 9.066282
4852 3370A 9.069623 3371A 9.083621 3372A 9.084923
4853 3373A 9.091881 3374A 9.096896 3375A 9.098336
4854 3376A 9.109937 3377A 9.112716 3378A 9.126028
4855 3379A 9.142177 3380A 9.146789 3381A 9.154292
4856 3382A 9.156091 3383A 9.159781 3384A 9.172416
4857 3385A 9.178549 3386A 9.179337 3387A 9.181293
4858 3388A 9.188947 3389A 9.193805 3390A 9.198902
4859 3391A 9.204509 3392A 9.208996 3393A 9.216127
4860 3394A 9.220399 3395A 9.221561 3396A 9.224294
4861 3397A 9.227930 3398A 9.230280 3399A 9.232692
4862 3400A 9.234907 3401A 9.245453 3402A 9.248772
4863 3403A 9.253023 3404A 9.256701 3405A 9.264224
4864 3406A 9.269716 3407A 9.272917 3408A 9.274234
4865 3409A 9.279045 3410A 9.289487 3411A 9.292138
4866 3412A 9.293513 3413A 9.299163 3414A 9.304978
4867 3415A 9.307828 3416A 9.316826 3417A 9.321129
4868 3418A 9.329145 3419A 9.334050 3420A 9.336439
4869 3421A 9.343190 3422A 9.348400 3423A 9.348901
4870 3424A 9.359543 3425A 9.365184 3426A 9.370423
4871 3427A 9.373608 3428A 9.387921 3429A 9.390316
4872 3430A 9.394997 3431A 9.397986 3432A 9.410904
4873 3433A 9.421242 3434A 9.424076 3435A 9.429675
4874 3436A 9.433025 3437A 9.436195 3438A 9.437897
4875 3439A 9.441478 3440A 9.446504 3441A 9.449274
4876 3442A 9.453408 3443A 9.466231 3444A 9.470799
4877 3445A 9.482250 3446A 9.489355 3447A 9.501609
4878 3448A 9.518454 3449A 9.541510 3450A 9.542484
4879 3451A 9.559280 3452A 9.572451 3453A 9.577821
4880 3454A 9.586183 3455A 9.600234 3456A 9.602103
4881 3457A 9.603223 3458A 9.608206 3459A 9.614377
4882 3460A 9.618113 3461A 9.620583 3462A 9.629512
4883 3463A 9.659521 3464A 9.680953 3465A 9.681612
4884 3466A 9.692688 3467A 9.699588 3468A 9.701802
4885 3469A 9.704615 3470A 9.712293 3471A 9.717635
4886 3472A 9.722095 3473A 9.723174 3474A 9.728378
4887 3475A 9.730243 3476A 9.734590 3477A 9.735661
4888 3478A 9.741625 3479A 9.743450 3480A 9.747254
4889 3481A 9.754078 3482A 9.754830 3483A 9.759790
4890 3484A 9.761069 3485A 9.770355 3486A 9.775780
4891 3487A 9.777410 3488A 9.784676 3489A 9.785300
4892 3490A 9.790818 3491A 9.793105 3492A 9.799250
4893 3493A 9.807382 3494A 9.817440 3495A 9.819504
4894 3496A 9.838755 3497A 9.850463 3498A 9.977378
4895 3499A 9.985230 3500A 10.001957 3501A 10.002261
4896 3502A 10.009930 3503A 10.017170 3504A 10.022936
4897 3505A 10.034976 3506A 10.041368 3507A 10.051430
4898 3508A 10.062840 3509A 10.074285 3510A 10.085530
4899 3511A 10.097434 3512A 10.755332 3513A 10.794093
4900 3514A 10.798583 3515A 10.815181 3516A 10.816577
4901 3517A 10.818953 3518A 10.822015 3519A 10.860776
4902 3520A 10.864958 3521A 10.871909 3522A 10.883480
4903 3523A 10.888576 3524A 10.890507 3525A 10.897973
4904 3526A 10.916928 3527A 10.931962 3528A 10.936432
4905 3529A 10.947395 3530A 10.964785 3531A 10.968170
4906 3532A 10.978741 3533A 10.990630 3534A 11.001414
4907 3535A 11.020812 3536A 11.023594 3537A 11.032071
4908 3538A 11.035971 3539A 11.041979 3540A 11.044490
4909 3541A 11.047443 3542A 11.052165 3543A 11.058546
4910 3544A 11.064615 3545A 11.069241 3546A 11.081639
4911 3547A 11.085339 3548A 11.103752 3549A 11.113792
4912 3550A 11.126571 3551A 11.136142 3552A 11.149237
4913 3553A 11.177055 3554A 11.194657 3555A 11.220282
4914 3556A 11.228048 3557A 11.239145 3558A 11.264146
4915 3559A 11.271841 3560A 11.281230 3561A 11.283579
4916 3562A 11.297619 3563A 11.304056 3564A 11.306591
4917 3565A 11.314028 3566A 11.323644 3567A 11.329223
4918 3568A 11.336957 3569A 11.340432 3570A 11.344939
4919 3571A 11.348395 3572A 11.354668 3573A 11.358250
4920 3574A 11.367686 3575A 11.371725 3576A 11.380982
4921 3577A 11.383244 3578A 11.391948 3579A 11.407344
4922 3580A 11.420127 3581A 11.435918 3582A 11.444673
4923 3583A 11.450238 3584A 11.457319 3585A 11.464687
4924 3586A 11.466238 3587A 11.471854 3588A 11.475428
4925 3589A 11.479404 3590A 11.481474 3591A 11.487099
4926 3592A 11.495668 3593A 11.502928 3594A 11.510011
4927 3595A 11.522023 3596A 11.842350 3597A 11.856732
4928 3598A 11.870890 3599A 11.874998 3600A 11.885006
4929 3601A 11.890660 3602A 11.907449 3603A 11.908474
4930 3604A 11.924793 3605A 11.926590 3606A 11.928097
4931 3607A 11.939692 3608A 11.954616 3609A 11.991467
4932 3610A 12.058326 3611A 12.540871 3612A 13.163319
4933 3613A 13.420368 3614A 13.456827 3615A 13.566589
4934 3616A 13.579841 3617A 13.591952 3618A 13.594984
4935 3619A 13.609034 3620A 13.618152 3621A 13.626642
4936 3622A 13.629954 3623A 13.640258 3624A 13.646507
4937 3625A 13.660416 3626A 13.672180 3627A 13.686600
4938 3628A 13.690839 3629A 13.736735 3630A 13.852167
4939 3631A 14.030911 3632A 14.135743 3633A 14.484198
4940 3634A 15.911469 3635A 40.157143 3636A 40.277015
4941 3637A 40.453968 3638A 40.506009 3639A 40.567694
4942 3640A 40.627468 3641A 40.701501 3642A 40.730383
4943 3643A 40.776821 3644A 40.927065 3645A 40.954243
4944 3646A 41.014167 3647A 41.161287 3648A 41.192703
4945 3649A 42.166686 3650A 42.183669 3651A 42.229342
4946 3652A 42.268952 3653A 42.293619 3654A 42.364229
4947 3655A 42.376643 3656A 42.744144 3657A 42.830210
4948 3658A 43.053496 3659A 43.088104 3660A 43.275243
4949 3661A 43.389329 3662A 43.429417 3663A 43.453238
4950 3664A 43.568641 3665A 43.633373 3666A 43.857497
4951 3667A 43.969656 3668A 44.127216 3669A 44.159465
4952 3670A 44.238142 3671A 44.413959 3672A 44.465212
4953 3673A 44.527862 3674A 44.583332 3675A 44.691598
4954 3676A 44.700976 3677A 49.068997 3678A 49.171568
4955 3679A 49.296305 3680A 49.319949 3681A 49.397306
4956 3682A 49.419400 3683A 49.460361 3684A 49.568464
4957 3685A 49.588484 3686A 49.627270 3687A 49.747016
4958 3688A 49.805654 3689A 49.897323 3690A 50.006156
4959 3691A 50.216091 3692A 50.260413 3693A 50.266037
4960 3694A 50.279256 3695A 50.332063 3696A 50.380771
4961 3697A 50.410511 3698A 50.442984 3699A 50.524388
4962 3700A 50.542408 3701A 50.744203 3702A 51.021693
4963 3703A 51.184510 3704A 51.489170 3705A 60.051055
4964 3706A 60.181313 3707A 60.205262 3708A 60.238005
4965 3709A 60.252154 3710A 60.328604 3711A 60.341384
4966 3712A 60.345054 3713A 60.386361 3714A 60.400463
4967 3715A 60.471773 3716A 60.507110 3717A 60.523231
4968 3718A 60.571819
4969
4970 Final Occupation by Irrep:
4971 A
4972 DOCC [ 60 ]
4973 NA [ 60 ]
4974 NB [ 60 ]
4975
4976 @DF-RHF Final Energy: -1414.11322501431596
4977
4978 => Energetics <=
4979
4980 Nuclear Repulsion Energy = 1104.4991923514301106
4981 One-Electron Energy = -4121.0829422994693232
4982 Two-Electron Energy = 1602.4705249337234818
4983 Total Energy = -1414.1132250143159581
4984
4985Computation Completed
4986
4987
4988Properties will be evaluated at 0.000000, 0.000000, 0.000000 [a0]
4989
4990Properties computed using the SCF density matrix
4991
4992
4993 Multipole Moments:
4994
4995 ------------------------------------------------------------------------------------
4996 Multipole Electronic (a.u.) Nuclear (a.u.) Total (a.u.)
4997 ------------------------------------------------------------------------------------
4998
4999 L = 1. Multiply by 2.5417464519 to convert [e a0] to [Debye]
5000 Dipole X : -62.1823484 57.3030300 -4.8793184
5001 Dipole Y : -41.8475462 38.9061404 -2.9414058
5002 Dipole Z : -48.8325592 46.3381906 -2.4943686
5003 Magnitude : 6.2194446
5004
5005 ------------------------------------------------------------------------------------
5006
5007*** tstop() called on ac0111 at Sat Oct 11 12:06:34 2025
5008Module time:
5009 user time = 19849.88 seconds = 330.83 minutes
5010 system time = 926.02 seconds = 15.43 minutes
5011 total time = 1814 seconds = 30.23 minutes
5012Total time:
5013 user time = 117713.12 seconds = 1961.89 minutes
5014 system time = 3283.01 seconds = 54.72 minutes
5015 total time = 8270 seconds = 137.83 minutes
5016
5017 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
5018 // Monomer A HF (Monomer Basis) //
5019 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
5020
5021 => Libint2 <=
5022
5023 Primary basis highest AM E, G, H: 5, 4, 3
5024 Auxiliary basis highest AM E, G, H: 6, 5, 4
5025 Onebody basis highest AM E, G, H: 6, 5, 4
5026 Solid Harmonics ordering: gaussian
5027
5028*** tstart() called on ac0111
5029*** at Sat Oct 11 12:06:34 2025
5030
5031 => Loading Basis Set <=
5032
5033 Name: CC-PVTZ
5034 Role: ORBITAL
5035 Keyword: BASIS
5036 atoms 1-28 entry N line 224 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
5037 atoms 29-70 entry C line 186 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
5038 atoms 71-84 entry O line 262 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
5039 atoms 85-126 entry H line 23 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
5040
5041
5042 ---------------------------------------------------------
5043 SCF
5044 by Justin Turney, Rob Parrish, Andy Simmonett
5045 and Daniel G. A. Smith
5046 RHF Reference
5047 24 Threads, 71525 MiB Core
5048 ---------------------------------------------------------
5049
5050 ==> Geometry <==
5051
5052 Molecular point group: c1
5053 Full point group: C1
5054
5055 Geometry (in Angstrom), charge = 0, multiplicity = 1:
5056
5057 Center X Y Z Mass
5058 ------------ ----------------- ----------------- ----------------- -----------------
5059 N -5.007390768128 2.188446201888 -0.240442583466 14.003074004430
5060 N -0.473958290276 2.694695558639 -4.752523215774 14.003074004430
5061 N -1.270561110325 -0.723023165998 4.236842391910 14.003074004430
5062 N -4.212667410899 4.011111301675 1.208875827286 14.003074004430
5063 N 0.689827661080 -2.138645748723 4.028324861724 14.003074004430
5064 N 2.557959976340 2.468804280887 -3.165659027361 14.003074004430
5065 N -4.040218693872 3.235209296147 -2.197115204064 14.003074004430
5066 N 0.713818323643 3.697341800498 -2.840046279402 14.003074004430
5067 N -0.718482776293 -4.006852204761 3.295971490658 14.003074004430
5068 N -1.327778162508 4.676938497559 -1.997882239108 14.003074004430
5069 N 1.031082726422 1.059568990323 -4.462714592142 14.003074004430
5070 N 4.999001799755 -1.238038315482 -1.869048375819 14.003074004430
5071 N -5.244108047818 0.770155846240 1.465492716036 14.003074004430
5072 N -3.902896667489 2.396040496249 2.730902449783 14.003074004430
5073 N -2.692328450913 -2.576464884940 3.478958176203 14.003074004430
5074 N 2.600105922514 -3.256731866456 3.650442475420 14.003074004430
5075 N 5.304928699654 -2.878427234120 -0.054913865620 14.003074004430
5076 N -2.962439647658 0.749629713248 4.263108064653 14.003074004430
5077 N 2.853669668882 -5.175784024345 0.612152115535 14.003074004430
5078 N 4.051156262380 0.587678220769 -2.745838663373 14.003074004430
5079 N 4.180805410474 -3.460788653659 1.790938381485 14.003074004430
5080 N 1.151609707659 -4.712759391596 2.294006270680 14.003074004430
5081 N 3.508307802836 -4.075251527017 -1.220512593906 14.003074004430
5082 N 2.521934450983 -0.803041562313 -4.035567152135 14.003074004430
5083 N -2.571082669762 3.601314195729 -3.836086755352 14.003074004430
5084 N 3.459209448521 -2.635101452370 -3.182132650685 14.003074004430
5085 N -3.985468131133 -0.900797213253 2.737993302371 14.003074004430
5086 N -3.151373173640 5.035247334548 -0.755987051122 14.003074004430
5087 C 1.909016850864 3.282643672146 -2.260325919031 12.000000000000
5088 C 0.699620010646 3.377951291191 -4.268381478370 12.000000000000
5089 C 1.799468231702 2.304715454634 -4.380377410262 12.000000000000
5090 C 2.059720500841 -1.999346104670 3.827925393577 12.000000000000
5091 C -5.058626662300 0.851654501518 0.101475804610 12.000000000000
5092 C -3.612302674737 -0.525437606837 4.110153594667 12.000000000000
5093 C -0.283789262197 1.329440859609 -4.820043260231 12.000000000000
5094 C -2.485560498276 -1.524291821714 4.439855737274 12.000000000000
5095 C -1.587118790367 0.630791062151 4.250640628033 12.000000000000
5096 C -3.474636580033 2.687826428644 -3.330824212616 12.000000000000
5097 C 0.054425253896 4.896275676437 -2.362658290060 12.000000000000
5098 C 4.903752496223 -2.444556951859 1.194904982896 12.000000000000
5099 C -3.629823680382 2.017292927126 4.107206606702 12.000000000000
5100 C 3.899550222157 -0.408113808574 -3.790689384594 12.000000000000
5101 C -5.216369184691 2.646547701887 -1.597772973104 12.000000000000
5102 C -3.668135134028 4.643647009511 -2.045527307562 12.000000000000
5103 C -2.427347566821 4.742863772047 -2.965030002251 12.000000000000
5104 C -2.126069776535 -3.899959054649 3.598614625857 12.000000000000
5105 C -1.770557036333 4.999087584150 -0.729149916007 12.000000000000
5106 C 3.562184570985 -3.973098358188 -2.667681242683 12.000000000000
5107 C -0.231271124122 -4.666614344409 2.188925198275 12.000000000000
5108 C 4.163400970566 -4.666591917496 0.965287496185 12.000000000000
5109 C -1.751561651036 3.329760391225 -4.996911218468 12.000000000000
5110 C -5.266018804348 -0.479937897891 2.182009455558 12.000000000000
5111 C 3.966753724551 -3.467775978765 3.225447904849 12.000000000000
5112 C 3.916389578446 2.005900994844 -2.995940099552 12.000000000000
5113 C 4.710909934655 -4.153341403567 -0.393948554050 12.000000000000
5114 C -3.425604481928 3.614668701658 2.268408041755 12.000000000000
5115 C 4.726675173101 0.097225140986 -1.646814519393 12.000000000000
5116 C 2.273596038150 -2.098260538297 -3.628719969913 12.000000000000
5117 C -0.009234966780 -1.143643337743 4.818918481524 12.000000000000
5118 C -5.253160857904 3.051747496115 0.908950585020 12.000000000000
5119 C -3.533775261478 -2.187628347651 2.459774126419 12.000000000000
5120 C -5.181820684029 2.066975395262 2.101764931218 12.000000000000
5121 C 0.337890804505 -3.554403223854 4.167853234877 12.000000000000
5122 C 4.551471011806 -1.681548346705 -3.177895685897 12.000000000000
5123 C 1.671917375495 -0.134111962655 -4.988408016960 12.000000000000
5124 C 2.436147117116 -4.700391281820 -0.614315760431 12.000000000000
5125 C -3.943850423898 5.210487996482 0.442583997970 12.000000000000
5126 C 5.909054492130 -1.984597498683 -1.022418427570 12.000000000000
5127 C 1.899417161285 -5.711507222019 1.552895800832 12.000000000000
5128 C 1.585816011911 -4.280435775905 3.621768712239 12.000000000000
5129 O 2.324055841064 3.602074343968 -1.147953953292 15.994914619570
5130 O -0.785793924109 1.563485865855 4.278430568646 15.994914619570
5131 O -1.123825191149 0.498871416289 -5.165567984703 15.994914619570
5132 O 2.688004125207 -0.942205911701 3.841799904744 15.994914619570
5133 O 5.193754523702 -1.365117171020 1.710789188278 15.994914619570
5134 O 5.063333731121 0.749153385883 -0.657702077668 15.994914619570
5135 O -3.753671633024 1.597477358022 -3.830995213465 15.994914619570
5136 O -4.992097205346 -0.103635134824 -0.678574866410 15.994914619570
5137 O -3.854145949089 -2.870249028173 1.485277673594 15.994914619570
5138 O 1.314309052502 -4.851762427863 -1.099914710628 15.994914619570
5139 O -0.905052011426 -5.156815341430 1.282846662589 15.994914619570
5140 O 1.192908416153 -2.687062290731 -3.708446394064 15.994914619570
5141 O -2.485028768255 4.243843136803 2.750965947949 15.994914619570
5142 O -1.061234626101 5.248719711046 0.244884035177 15.994914619570
5143 H 0.634741248927 -0.257682942765 4.879787678203 1.007825032230
5144 H -0.191413705220 -1.545976244927 5.833182459662 1.007825032230
5145 H 0.888517765470 4.286443369086 -4.862609200507 1.007825032230
5146 H 2.451005335790 2.413656417750 -5.263053820389 1.007825032230
5147 H -6.223295671004 3.561467161029 0.798126874195 1.007825032230
5148 H -4.489545140451 -0.598179784233 4.772319728203 1.007825032230
5149 H -6.001492193201 2.178912663232 2.829175796672 1.007825032230
5150 H -2.516902719416 -1.922163827071 5.467042705891 1.007825032230
5151 H 4.370283082618 -0.064029313115 -4.725854819965 1.007825032230
5152 H -4.504919251436 5.296431373524 -2.339489857555 1.007825032230
5153 H -2.370304888560 5.672647211918 -3.552632369793 1.007825032230
5154 H 0.101119678484 -3.789021776266 5.218486064322 1.007825032230
5155 H 4.772437395966 -5.456908225604 1.430002982672 1.007825032230
5156 H 5.404077387027 -2.076758721879 -3.752493623161 1.007825032230
5157 H 0.109894049137 5.675647436952 -3.143455631521 1.007825032230
5158 H 5.453549063571 -4.818268202049 -0.861495949654 1.007825032230
5159 H -2.980280404084 2.788429426269 4.538918307513 1.007825032230
5160 H -4.577446667429 1.973090344116 4.666738884392 1.007825032230
5161 H -5.499462174531 1.782220404284 -2.211778002569 1.007825032230
5162 H -6.035779427277 3.385498175301 -1.596141212870 1.007825032230
5163 H 1.898878809664 -5.152063967673 4.218423810922 1.007825032230
5164 H -2.284740027465 -4.243391925910 4.632968716763 1.007825032230
5165 H -2.663093882090 -4.557406482413 2.903880705228 1.007825032230
5166 H 4.512370701842 -4.409786897502 -3.014393240707 1.007825032230
5167 H 2.721371353618 -4.547156036303 -3.077946392784 1.007825032230
5168 H -1.565729183681 4.284741864617 -5.508821686292 1.007825032230
5169 H -2.322410977266 2.665072692289 -5.657016881890 1.007825032230
5170 H -5.997796284072 -0.388443340655 3.001282409007 1.007825032230
5171 H -5.594213339047 -1.257653363856 1.481711040845 1.007825032230
5172 H 4.300888554941 -4.434031431457 3.633144639867 1.007825032230
5173 H 4.572747399686 -2.658441958617 3.652250382458 1.007825032230
5174 H 2.279503161099 0.136032796422 -5.871329833074 1.007825032230
5175 H 0.878008480228 -0.830362238454 -5.284566132121 1.007825032230
5176 H 4.344562421336 2.532452769455 -2.133889296407 1.007825032230
5177 H 4.479837673979 2.262489651601 -3.909158188015 1.007825032230
5178 H -4.903320369620 5.660860998215 0.152330870348 1.007825032230
5179 H -3.400889094508 5.898857639603 1.102206148354 1.007825032230
5180 H 6.569623489680 -2.580966507175 -1.669046315437 1.007825032230
5181 H 6.507011066229 -1.258176850728 -0.457480977125 1.007825032230
5182 H 2.442444260130 -6.358630789983 2.258192806404 1.007825032230
5183 H 1.177380024560 -6.312383505729 0.986233476739 1.007825032230
5184 H 0.580803041265 5.234377226497 -1.460896102340 1.007825032230
5185
5186 Running in c1 symmetry.
5187
5188 Rotational constants: A = 0.00099 B = 0.00078 C = 0.00055 [cm^-1]
5189 Rotational constants: A = 29.69775 B = 23.38753 C = 16.38635 [MHz]
5190 Nuclear repulsion = 16791.544822834468505
5191
5192 Charge = 0
5193 Multiplicity = 1
5194 Electrons = 602
5195 Nalpha = 301
5196 Nbeta = 301
5197
5198 ==> Algorithm <==
5199
5200 SCF Algorithm Type is DF.
5201 DIIS enabled.
5202 MOM disabled.
5203 Fractional occupation disabled.
5204 Guess Type is SAD.
5205 Energy threshold = 1.00e-08
5206 Density threshold = 1.00e-08
5207 Integral threshold = 1.00e-12
5208
5209 ==> Primary Basis <==
5210
5211 Basis Set: CC-PVTZ
5212 Blend: CC-PVTZ
5213 Number of shells: 1092
5214 Number of basis functions: 3108
5215 Number of Cartesian functions: 3570
5216 Spherical Harmonics?: true
5217 Max angular momentum: 3
5218
5219 => Loading Basis Set <=
5220
5221 Name: (CC-PVTZ AUX)
5222 Role: JKFIT
5223 Keyword: DF_BASIS_SCF
5224 atoms 1-28 entry N line 177 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
5225 atoms 29-70 entry C line 125 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
5226 atoms 71-84 entry O line 229 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
5227 atoms 85-126 entry H line 51 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
5228
5229 ==> Integral Setup <==
5230
5231 ==> DiskDFJK: Density-Fitted J/K Matrices <==
5232
5233 J tasked: Yes
5234 K tasked: Yes
5235 wK tasked: No
5236 OpenMP threads: 24
5237 Integrals threads: 24
5238 Memory [MiB]: 53644
5239 Algorithm: Disk
5240 Integral Cache: NONE
5241 Schwarz Cutoff: 1E-12
5242 Fitting Condition: 1E-10
5243
5244 => Auxiliary Basis Set <=
5245
5246 Basis Set: (CC-PVTZ AUX)
5247 Blend: CC-PVTZ-JKFIT
5248 Number of shells: 2520
5249 Number of basis functions: 7896
5250 Number of Cartesian functions: 9534
5251 Spherical Harmonics?: true
5252 Max angular momentum: 4
5253
5254 Minimum eigenvalue in the overlap matrix is 2.9877348514E-05.
5255 Reciprocal condition number of the overlap matrix is 3.4087051704E-06.
5256 Using symmetric orthogonalization.
5257
5258 ==> Pre-Iterations <==
5259
5260 SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF (no occupation information).
5261
5262 -------------------------
5263 Irrep Nso Nmo
5264 -------------------------
5265 A 3108 3108
5266 -------------------------
5267 Total 3108 3108
5268 -------------------------
5269
5270 ==> Iterations <==
5271
5272 Total Energy Delta E RMS |[F,P]|
5273
5274 @DF-RHF iter SAD: -4195.53533916983451 -4.19554e+03 0.00000e+00
5275 @DF-RHF iter 1: -4187.26259851953819 8.27274e+00 6.70219e-04 DIIS/ADIIS
5276 @DF-RHF iter 2: -4188.46815698729279 -1.20556e+00 4.89881e-04 DIIS/ADIIS
5277 @DF-RHF iter 3: -4189.26717291064142 -7.99016e-01 9.03360e-05 DIIS
5278 @DF-RHF iter 4: -4189.30932160000521 -4.21487e-02 3.71802e-05 DIIS
5279 @DF-RHF iter 5: -4189.31583833925197 -6.51674e-03 7.59709e-06 DIIS
5280 @DF-RHF iter 6: -4189.31643730917040 -5.98970e-04 3.20605e-06 DIIS
5281 @DF-RHF iter 7: -4189.31655240646160 -1.15097e-04 1.23450e-06 DIIS
5282 @DF-RHF iter 8: -4189.31656767198638 -1.52655e-05 5.07866e-07 DIIS
5283 @DF-RHF iter 9: -4189.31657040741175 -2.73543e-06 1.68761e-07 DIIS
5284 @DF-RHF iter 10: -4189.31657074854957 -3.41138e-07 6.95981e-08 DIIS
5285 @DF-RHF iter 11: -4189.31657079442994 -4.58804e-08 2.52088e-08 DIIS
5286 @DF-RHF iter 12: -4189.31657079897559 -4.54565e-09 8.84313e-09 DIIS
5287 Energy and wave function converged.
5288
5289
5290 ==> Post-Iterations <==
5291
5292 Orbital Energies [Eh]
5293 ---------------------
5294
5295 Doubly Occupied:
5296
5297 1A -20.509997 2A -20.509315 3A -20.509070
5298 4A -20.508759 5A -20.508072 6A -20.507750
5299 7A -20.507535 8A -20.507426 9A -20.507126
5300 10A -20.506688 11A -20.506681 12A -20.506512
5301 13A -20.506165 14A -20.504750 15A -15.598471
5302 16A -15.598285 17A -15.597481 18A -15.597454
5303 19A -15.597308 20A -15.596941 21A -15.596684
5304 22A -15.596570 23A -15.596397 24A -15.596254
5305 25A -15.595905 26A -15.595551 27A -15.595363
5306 28A -15.595347 29A -15.594265 30A -15.593844
5307 31A -15.593802 32A -15.593670 33A -15.593588
5308 34A -15.593553 35A -15.593478 36A -15.593157
5309 37A -15.593076 38A -15.592713 39A -15.592471
5310 40A -15.592372 41A -15.591408 42A -15.590751
5311 43A -11.378662 44A -11.378186 45A -11.377729
5312 46A -11.377351 47A -11.376914 48A -11.376882
5313 49A -11.376854 50A -11.376798 51A -11.376737
5314 52A -11.376570 53A -11.376562 54A -11.376437
5315 55A -11.375497 56A -11.374258 57A -11.347032
5316 58A -11.346744 59A -11.346173 60A -11.345485
5317 61A -11.345401 62A -11.345353 63A -11.345170
5318 64A -11.344128 65A -11.342983 66A -11.342293
5319 67A -11.342221 68A -11.341924 69A -11.341578
5320 70A -11.340883 71A -11.326951 72A -11.325585
5321 73A -11.325062 74A -11.322985 75A -11.322257
5322 76A -11.320740 77A -11.320124 78A -11.319930
5323 79A -11.318791 80A -11.318356 81A -11.318209
5324 82A -11.314468 83A -11.314246 84A -11.311674
5325 85A -1.416960 86A -1.414691 87A -1.413471
5326 88A -1.407024 89A -1.406681 90A -1.400059
5327 91A -1.399688 92A -1.390192 93A -1.388645
5328 94A -1.387584 95A -1.383406 96A -1.383029
5329 97A -1.378952 98A -1.378432 99A -1.322404
5330 100A -1.321892 101A -1.320635 102A -1.318625
5331 103A -1.318007 104A -1.313205 105A -1.312471
5332 106A -1.289745 107A -1.289489 108A -1.275792
5333 109A -1.273493 110A -1.273476 111A -1.267862
5334 112A -1.267731 113A -1.264821 114A -1.263902
5335 115A -1.256054 116A -1.255297 117A -1.237393
5336 118A -1.235681 119A -1.234588 120A -1.231874
5337 121A -1.219304 122A -1.205913 123A -1.205675
5338 124A -1.173734 125A -1.173067 126A -1.155910
5339 127A -1.077268 128A -1.060251 129A -1.057490
5340 130A -1.025660 131A -1.025328 132A -1.014404
5341 133A -1.003929 134A -1.003533 135A -0.992053
5342 136A -0.989633 137A -0.983253 138A -0.979888
5343 139A -0.978626 140A -0.969169 141A -0.968213
5344 142A -0.961959 143A -0.960287 144A -0.940280
5345 145A -0.939287 146A -0.891282 147A -0.890743
5346 148A -0.884944 149A -0.884719 150A -0.879882
5347 151A -0.879067 152A -0.874239 153A -0.867645
5348 154A -0.867130 155A -0.820064 156A -0.819911
5349 157A -0.799045 158A -0.798347 159A -0.792007
5350 160A -0.789187 161A -0.787171 162A -0.786063
5351 163A -0.783597 164A -0.782993 165A -0.781407
5352 166A -0.780850 167A -0.780371 168A -0.778957
5353 169A -0.753182 170A -0.752230 171A -0.745834
5354 172A -0.744653 173A -0.742555 174A -0.738892
5355 175A -0.733812 176A -0.733242 177A -0.722540
5356 178A -0.720715 179A -0.714940 180A -0.713001
5357 181A -0.712325 182A -0.710959 183A -0.709316
5358 184A -0.706252 185A -0.705239 186A -0.702408
5359 187A -0.700525 188A -0.693474 189A -0.692846
5360 190A -0.691386 191A -0.685893 192A -0.672882
5361 193A -0.672238 194A -0.656491 195A -0.654895
5362 196A -0.653947 197A -0.652174 198A -0.651292
5363 199A -0.648441 200A -0.647787 201A -0.646216
5364 202A -0.640699 203A -0.639717 204A -0.637524
5365 205A -0.636870 206A -0.635489 207A -0.633398
5366 208A -0.628432 209A -0.627047 210A -0.626367
5367 211A -0.625895 212A -0.619292 213A -0.619061
5368 214A -0.617812 215A -0.617281 216A -0.616611
5369 217A -0.615277 218A -0.613698 219A -0.612822
5370 220A -0.605679 221A -0.604043 222A -0.602497
5371 223A -0.601597 224A -0.599407 225A -0.598596
5372 226A -0.596276 227A -0.595010 228A -0.593675
5373 229A -0.592317 230A -0.581181 231A -0.580059
5374 232A -0.578251 233A -0.575420 234A -0.575015
5375 235A -0.571370 236A -0.571045 237A -0.569316
5376 238A -0.568549 239A -0.566468 240A -0.565582
5377 241A -0.563047 242A -0.562461 243A -0.561056
5378 244A -0.559910 245A -0.559092 246A -0.541601
5379 247A -0.540758 248A -0.537129 249A -0.536480
5380 250A -0.535662 251A -0.534703 252A -0.534089
5381 253A -0.532620 254A -0.531570 255A -0.527702
5382 256A -0.526305 257A -0.524623 258A -0.522373
5383 259A -0.521438 260A -0.469618 261A -0.466873
5384 262A -0.455910 263A -0.453304 264A -0.441817
5385 265A -0.440110 266A -0.439440 267A -0.438660
5386 268A -0.438104 269A -0.437246 270A -0.435099
5387 271A -0.434553 272A -0.431613 273A -0.430694
5388 274A -0.420707 275A -0.419272 276A -0.415551
5389 277A -0.413785 278A -0.411984 279A -0.409914
5390 280A -0.408777 281A -0.407905 282A -0.406645
5391 283A -0.405546 284A -0.405110 285A -0.403557
5392 286A -0.402151 287A -0.401498 288A -0.400549
5393 289A -0.399465 290A -0.399048 291A -0.398597
5394 292A -0.397350 293A -0.397214 294A -0.396152
5395 295A -0.394599 296A -0.393005 297A -0.391977
5396 298A -0.389859 299A -0.389093 300A -0.388763
5397 301A -0.387607
5398
5399 Virtual:
5400
5401 302A 0.103321 303A 0.104994 304A 0.106904
5402 305A 0.112246 306A 0.113025 307A 0.121448
5403 308A 0.121801 309A 0.134109 310A 0.134352
5404 311A 0.149488 312A 0.149879 313A 0.155341
5405 314A 0.157229 315A 0.164980 316A 0.169462
5406 317A 0.170240 318A 0.172305 319A 0.172721
5407 320A 0.179144 321A 0.179878 322A 0.191184
5408 323A 0.194902 324A 0.197712 325A 0.199917
5409 326A 0.200642 327A 0.202364 328A 0.203735
5410 329A 0.204553 330A 0.205232 331A 0.209159
5411 332A 0.211888 333A 0.212213 334A 0.214234
5412 335A 0.215286 336A 0.216339 337A 0.218322
5413 338A 0.218796 339A 0.220937 340A 0.221212
5414 341A 0.221972 342A 0.222802 343A 0.223362
5415 344A 0.224919 345A 0.226834 346A 0.227901
5416 347A 0.229020 348A 0.230554 349A 0.232448
5417 350A 0.232735 351A 0.234749 352A 0.238844
5418 353A 0.241370 354A 0.242040 355A 0.242886
5419 356A 0.247650 357A 0.249623 358A 0.251585
5420 359A 0.254572 360A 0.256572 361A 0.259186
5421 362A 0.261913 363A 0.263286 364A 0.265163
5422 365A 0.268683 366A 0.269197 367A 0.269550
5423 368A 0.272175 369A 0.272310 370A 0.273666
5424 371A 0.277871 372A 0.279675 373A 0.281205
5425 374A 0.282390 375A 0.283921 376A 0.287484
5426 377A 0.289661 378A 0.296034 379A 0.300156
5427 380A 0.302302 381A 0.304772 382A 0.305883
5428 383A 0.309012 384A 0.311351 385A 0.313909
5429 386A 0.322125 387A 0.322753 388A 0.326256
5430 389A 0.328699 390A 0.329348 391A 0.334293
5431 392A 0.334719 393A 0.336737 394A 0.339063
5432 395A 0.340367 396A 0.345659 397A 0.346447
5433 398A 0.348475 399A 0.349534 400A 0.350895
5434 401A 0.353844 402A 0.355177 403A 0.358882
5435 404A 0.359995 405A 0.360657 406A 0.362147
5436 407A 0.364758 408A 0.366486 409A 0.367572
5437 410A 0.370206 411A 0.372636 412A 0.374026
5438 413A 0.375927 414A 0.378025 415A 0.380587
5439 416A 0.384740 417A 0.386882 418A 0.391295
5440 419A 0.392324 420A 0.397061 421A 0.400018
5441 422A 0.400841 423A 0.403825 424A 0.404650
5442 425A 0.406467 426A 0.408535 427A 0.409418
5443 428A 0.414782 429A 0.417411 430A 0.419542
5444 431A 0.419702 432A 0.421050 433A 0.421359
5445 434A 0.423919 435A 0.426283 436A 0.426936
5446 437A 0.427219 438A 0.430039 439A 0.432561
5447 440A 0.437965 441A 0.440256 442A 0.443942
5448 443A 0.446482 444A 0.450743 445A 0.451567
5449 446A 0.456452 447A 0.460527 448A 0.461816
5450 449A 0.464115 450A 0.464857 451A 0.467732
5451 452A 0.468297 453A 0.468774 454A 0.472824
5452 455A 0.473204 456A 0.476086 457A 0.477121
5453 458A 0.479022 459A 0.480133 460A 0.481766
5454 461A 0.482291 462A 0.484685 463A 0.487301
5455 464A 0.488232 465A 0.489699 466A 0.491008
5456 467A 0.495556 468A 0.496471 469A 0.497827
5457 470A 0.500192 471A 0.501421 472A 0.503167
5458 473A 0.504394 474A 0.507861 475A 0.509604
5459 476A 0.510075 477A 0.513746 478A 0.514339
5460 479A 0.517176 480A 0.519018 481A 0.522496
5461 482A 0.524242 483A 0.528209 484A 0.530812
5462 485A 0.532445 486A 0.534168 487A 0.534466
5463 488A 0.537009 489A 0.537837 490A 0.539968
5464 491A 0.540945 492A 0.542332 493A 0.544298
5465 494A 0.545728 495A 0.546633 496A 0.546923
5466 497A 0.548160 498A 0.549050 499A 0.550826
5467 500A 0.552993 501A 0.554713 502A 0.555795
5468 503A 0.556415 504A 0.558174 505A 0.559898
5469 506A 0.561455 507A 0.562630 508A 0.564806
5470 509A 0.565839 510A 0.567475 511A 0.568787
5471 512A 0.569957 513A 0.570943 514A 0.573139
5472 515A 0.574556 516A 0.574980 517A 0.576504
5473 518A 0.578112 519A 0.578830 520A 0.580250
5474 521A 0.582111 522A 0.583470 523A 0.584336
5475 524A 0.585373 525A 0.587256 526A 0.588515
5476 527A 0.590379 528A 0.592823 529A 0.595311
5477 530A 0.597648 531A 0.598923 532A 0.600100
5478 533A 0.601021 534A 0.602260 535A 0.604315
5479 536A 0.606081 537A 0.606600 538A 0.607312
5480 539A 0.608475 540A 0.611677 541A 0.613555
5481 542A 0.615121 543A 0.617716 544A 0.621189
5482 545A 0.621339 546A 0.622272 547A 0.624764
5483 548A 0.626861 549A 0.629012 550A 0.629592
5484 551A 0.631587 552A 0.633434 553A 0.634630
5485 554A 0.636075 555A 0.636455 556A 0.638605
5486 557A 0.639641 558A 0.640124 559A 0.642370
5487 560A 0.643446 561A 0.646309 562A 0.646901
5488 563A 0.649568 564A 0.652125 565A 0.654576
5489 566A 0.655474 567A 0.656987 568A 0.657886
5490 569A 0.659035 570A 0.659820 571A 0.661334
5491 572A 0.663599 573A 0.665385 574A 0.666807
5492 575A 0.669478 576A 0.670929 577A 0.673945
5493 578A 0.675430 579A 0.678364 580A 0.680295
5494 581A 0.682351 582A 0.685319 583A 0.687714
5495 584A 0.689035 585A 0.689917 586A 0.692943
5496 587A 0.694591 588A 0.695523 589A 0.697053
5497 590A 0.699251 591A 0.700255 592A 0.703459
5498 593A 0.706020 594A 0.707109 595A 0.708168
5499 596A 0.710334 597A 0.713707 598A 0.715428
5500 599A 0.717735 600A 0.721843 601A 0.724347
5501 602A 0.726281 603A 0.728368 604A 0.729440
5502 605A 0.732040 606A 0.733643 607A 0.735708
5503 608A 0.737521 609A 0.740778 610A 0.742908
5504 611A 0.743369 612A 0.744388 613A 0.748368
5505 614A 0.748761 615A 0.750015 616A 0.752932
5506 617A 0.755302 618A 0.756067 619A 0.759654
5507 620A 0.762763 621A 0.763845 622A 0.767793
5508 623A 0.769998 624A 0.771248 625A 0.773528
5509 626A 0.774982 627A 0.775737 628A 0.777041
5510 629A 0.779115 630A 0.780177 631A 0.781838
5511 632A 0.782173 633A 0.784779 634A 0.786037
5512 635A 0.788682 636A 0.789020 637A 0.791563
5513 638A 0.793212 639A 0.795069 640A 0.797584
5514 641A 0.798570 642A 0.801239 643A 0.803141
5515 644A 0.804985 645A 0.806415 646A 0.807700
5516 647A 0.808789 648A 0.810361 649A 0.811360
5517 650A 0.811531 651A 0.814167 652A 0.815295
5518 653A 0.819827 654A 0.820879 655A 0.824305
5519 656A 0.825786 657A 0.827429 658A 0.830492
5520 659A 0.831940 660A 0.833954 661A 0.834931
5521 662A 0.837644 663A 0.838843 664A 0.839737
5522 665A 0.842194 666A 0.843143 667A 0.845535
5523 668A 0.846455 669A 0.848864 670A 0.851627
5524 671A 0.852090 672A 0.854933 673A 0.855819
5525 674A 0.856854 675A 0.858544 676A 0.860366
5526 677A 0.861966 678A 0.862916 679A 0.864101
5527 680A 0.868359 681A 0.872558 682A 0.876421
5528 683A 0.877839 684A 0.880990 685A 0.882017
5529 686A 0.886774 687A 0.888029 688A 0.890855
5530 689A 0.893695 690A 0.896515 691A 0.898154
5531 692A 0.899974 693A 0.906160 694A 0.906430
5532 695A 0.908827 696A 0.910854 697A 0.913443
5533 698A 0.915624 699A 0.918638 700A 0.922241
5534 701A 0.926503 702A 0.929201 703A 0.931330
5535 704A 0.934626 705A 0.936036 706A 0.941985
5536 707A 0.944688 708A 0.948280 709A 0.948534
5537 710A 0.949924 711A 0.952524 712A 0.953744
5538 713A 0.954386 714A 0.955889 715A 0.957071
5539 716A 0.958373 717A 0.962481 718A 0.965936
5540 719A 0.966713 720A 0.968668 721A 0.971046
5541 722A 0.974354 723A 0.977816 724A 0.978557
5542 725A 0.980289 726A 0.982849 727A 0.985293
5543 728A 0.986488 729A 0.987979 730A 0.988442
5544 731A 0.989455 732A 0.993021 733A 0.995054
5545 734A 0.997731 735A 0.998557 736A 1.001872
5546 737A 1.003890 738A 1.008675 739A 1.010551
5547 740A 1.012055 741A 1.013131 742A 1.016187
5548 743A 1.018831 744A 1.019094 745A 1.023958
5549 746A 1.026026 747A 1.026539 748A 1.027774
5550 749A 1.030427 750A 1.031807 751A 1.033598
5551 752A 1.035711 753A 1.039331 754A 1.040529
5552 755A 1.041421 756A 1.042389 757A 1.045722
5553 758A 1.047017 759A 1.050042 760A 1.051403
5554 761A 1.054648 762A 1.056028 763A 1.057606
5555 764A 1.058930 765A 1.062414 766A 1.063770
5556 767A 1.064498 768A 1.064745 769A 1.067838
5557 770A 1.068935 771A 1.070202 772A 1.071277
5558 773A 1.076132 774A 1.077683 775A 1.078802
5559 776A 1.081714 777A 1.082259 778A 1.083450
5560 779A 1.086263 780A 1.088864 781A 1.090539
5561 782A 1.092243 783A 1.092938 784A 1.095205
5562 785A 1.097210 786A 1.099886 787A 1.100638
5563 788A 1.104149 789A 1.106038 790A 1.107338
5564 791A 1.109749 792A 1.112463 793A 1.114111
5565 794A 1.114685 795A 1.115110 796A 1.117461
5566 797A 1.119242 798A 1.120944 799A 1.123353
5567 800A 1.125432 801A 1.127841 802A 1.131598
5568 803A 1.133326 804A 1.134342 805A 1.139635
5569 806A 1.143301 807A 1.146375 808A 1.147835
5570 809A 1.149544 810A 1.150517 811A 1.151689
5571 812A 1.153179 813A 1.155913 814A 1.157632
5572 815A 1.159674 816A 1.160523 817A 1.166154
5573 818A 1.169378 819A 1.170987 820A 1.171775
5574 821A 1.173189 822A 1.174202 823A 1.176377
5575 824A 1.180810 825A 1.182285 826A 1.184294
5576 827A 1.187160 828A 1.189150 829A 1.190116
5577 830A 1.193229 831A 1.195815 832A 1.198604
5578 833A 1.202321 834A 1.203980 835A 1.204372
5579 836A 1.204733 837A 1.207822 838A 1.208083
5580 839A 1.209500 840A 1.212754 841A 1.215238
5581 842A 1.216337 843A 1.217576 844A 1.219844
5582 845A 1.224006 846A 1.224502 847A 1.225052
5583 848A 1.228361 849A 1.230103 850A 1.231866
5584 851A 1.232518 852A 1.233940 853A 1.237081
5585 854A 1.239102 855A 1.240785 856A 1.243188
5586 857A 1.244684 858A 1.245075 859A 1.247009
5587 860A 1.248235 861A 1.250136 862A 1.252429
5588 863A 1.255323 864A 1.256560 865A 1.258792
5589 866A 1.260062 867A 1.263331 868A 1.264631
5590 869A 1.268085 870A 1.269692 871A 1.270694
5591 872A 1.271004 873A 1.272835 874A 1.274268
5592 875A 1.276509 876A 1.277850 877A 1.279351
5593 878A 1.281409 879A 1.282340 880A 1.287191
5594 881A 1.290752 882A 1.292247 883A 1.293384
5595 884A 1.294680 885A 1.297242 886A 1.301306
5596 887A 1.303495 888A 1.304536 889A 1.305081
5597 890A 1.308287 891A 1.309093 892A 1.313597
5598 893A 1.315146 894A 1.318911 895A 1.319450
5599 896A 1.320989 897A 1.324090 898A 1.326212
5600 899A 1.328707 900A 1.330633 901A 1.332033
5601 902A 1.334140 903A 1.334915 904A 1.337818
5602 905A 1.342762 906A 1.345293 907A 1.347587
5603 908A 1.348529 909A 1.351498 910A 1.353256
5604 911A 1.354232 912A 1.355882 913A 1.359183
5605 914A 1.360759 915A 1.364313 916A 1.366500
5606 917A 1.367839 918A 1.368692 919A 1.372418
5607 920A 1.374993 921A 1.375980 922A 1.376968
5608 923A 1.378348 924A 1.382546 925A 1.384004
5609 926A 1.384639 927A 1.386855 928A 1.387329
5610 929A 1.390458 930A 1.391863 931A 1.394221
5611 932A 1.394325 933A 1.396059 934A 1.397522
5612 935A 1.400193 936A 1.403020 937A 1.403408
5613 938A 1.407089 939A 1.407958 940A 1.409303
5614 941A 1.410658 942A 1.413552 943A 1.415711
5615 944A 1.417064 945A 1.420137 946A 1.421038
5616 947A 1.423250 948A 1.423644 949A 1.425188
5617 950A 1.428398 951A 1.429343 952A 1.429985
5618 953A 1.432987 954A 1.433447 955A 1.436819
5619 956A 1.437549 957A 1.438507 958A 1.441968
5620 959A 1.443575 960A 1.445788 961A 1.446984
5621 962A 1.449365 963A 1.452048 964A 1.453167
5622 965A 1.453956 966A 1.456463 967A 1.460378
5623 968A 1.462343 969A 1.463227 970A 1.464132
5624 971A 1.466121 972A 1.468503 973A 1.470344
5625 974A 1.471065 975A 1.471822 976A 1.473456
5626 977A 1.475350 978A 1.476888 979A 1.478602
5627 980A 1.481560 981A 1.483828 982A 1.484282
5628 983A 1.487178 984A 1.488446 985A 1.491226
5629 986A 1.492584 987A 1.495905 988A 1.498104
5630 989A 1.501336 990A 1.502633 991A 1.506509
5631 992A 1.509002 993A 1.509726 994A 1.513425
5632 995A 1.514725 996A 1.515937 997A 1.517183
5633 998A 1.519653 999A 1.522100 1000A 1.524550
5634 1001A 1.525011 1002A 1.527673 1003A 1.529897
5635 1004A 1.532793 1005A 1.537143 1006A 1.539163
5636 1007A 1.540873 1008A 1.542665 1009A 1.544754
5637 1010A 1.550143 1011A 1.554243 1012A 1.554796
5638 1013A 1.557939 1014A 1.558395 1015A 1.563486
5639 1016A 1.565753 1017A 1.566343 1018A 1.570252
5640 1019A 1.571873 1020A 1.575792 1021A 1.577771
5641 1022A 1.582593 1023A 1.585152 1024A 1.587307
5642 1025A 1.588067 1026A 1.589203 1027A 1.591520
5643 1028A 1.595730 1029A 1.598922 1030A 1.600251
5644 1031A 1.601469 1032A 1.604705 1033A 1.606271
5645 1034A 1.608599 1035A 1.612262 1036A 1.613790
5646 1037A 1.616753 1038A 1.617252 1039A 1.619732
5647 1040A 1.623516 1041A 1.627108 1042A 1.628876
5648 1043A 1.631310 1044A 1.631425 1045A 1.635746
5649 1046A 1.637725 1047A 1.643113 1048A 1.644648
5650 1049A 1.646867 1050A 1.647716 1051A 1.650610
5651 1052A 1.653512 1053A 1.654358 1054A 1.658155
5652 1055A 1.660358 1056A 1.662828 1057A 1.663452
5653 1058A 1.664684 1059A 1.667071 1060A 1.669555
5654 1061A 1.671319 1062A 1.673055 1063A 1.674082
5655 1064A 1.677896 1065A 1.679285 1066A 1.681540
5656 1067A 1.684025 1068A 1.686007 1069A 1.688201
5657 1070A 1.689753 1071A 1.690375 1072A 1.692288
5658 1073A 1.694860 1074A 1.696423 1075A 1.700553
5659 1076A 1.701612 1077A 1.702397 1078A 1.704376
5660 1079A 1.706529 1080A 1.709050 1081A 1.709565
5661 1082A 1.712933 1083A 1.713095 1084A 1.714750
5662 1085A 1.716591 1086A 1.719334 1087A 1.722134
5663 1088A 1.725381 1089A 1.726363 1090A 1.728912
5664 1091A 1.730145 1092A 1.731212 1093A 1.735132
5665 1094A 1.736481 1095A 1.740021 1096A 1.744583
5666 1097A 1.747014 1098A 1.747898 1099A 1.748783
5667 1100A 1.750982 1101A 1.753037 1102A 1.754654
5668 1103A 1.759428 1104A 1.762287 1105A 1.766056
5669 1106A 1.767080 1107A 1.771153 1108A 1.774362
5670 1109A 1.775450 1110A 1.778000 1111A 1.779177
5671 1112A 1.782275 1113A 1.783826 1114A 1.785150
5672 1115A 1.787439 1116A 1.792848 1117A 1.794200
5673 1118A 1.796421 1119A 1.799820 1120A 1.801876
5674 1121A 1.803970 1122A 1.806595 1123A 1.811415
5675 1124A 1.811776 1125A 1.813950 1126A 1.816095
5676 1127A 1.819321 1128A 1.821508 1129A 1.824342
5677 1130A 1.825804 1131A 1.828459 1132A 1.830261
5678 1133A 1.832317 1134A 1.835419 1135A 1.838349
5679 1136A 1.842019 1137A 1.843898 1138A 1.845809
5680 1139A 1.847623 1140A 1.849910 1141A 1.850494
5681 1142A 1.854156 1143A 1.857313 1144A 1.860948
5682 1145A 1.865173 1146A 1.866755 1147A 1.871591
5683 1148A 1.874174 1149A 1.875305 1150A 1.882128
5684 1151A 1.882539 1152A 1.884491 1153A 1.885476
5685 1154A 1.890704 1155A 1.896520 1156A 1.898070
5686 1157A 1.899976 1158A 1.903699 1159A 1.906487
5687 1160A 1.907670 1161A 1.909801 1162A 1.910996
5688 1163A 1.913698 1164A 1.922533 1165A 1.923241
5689 1166A 1.927542 1167A 1.930142 1168A 1.933039
5690 1169A 1.935832 1170A 1.939949 1171A 1.941481
5691 1172A 1.947025 1173A 1.951211 1174A 1.954018
5692 1175A 1.956545 1176A 1.960873 1177A 1.966632
5693 1178A 1.967053 1179A 1.973496 1180A 1.976183
5694 1181A 1.978196 1182A 1.980325 1183A 1.982011
5695 1184A 1.985981 1185A 1.986956 1186A 1.988160
5696 1187A 1.992632 1188A 1.995473 1189A 1.996269
5697 1190A 1.999479 1191A 2.000367 1192A 2.004000
5698 1193A 2.005855 1194A 2.010307 1195A 2.013096
5699 1196A 2.017595 1197A 2.020458 1198A 2.023874
5700 1199A 2.024474 1200A 2.026117 1201A 2.028302
5701 1202A 2.032943 1203A 2.034069 1204A 2.038435
5702 1205A 2.042778 1206A 2.044230 1207A 2.048593
5703 1208A 2.053408 1209A 2.054824 1210A 2.058195
5704 1211A 2.065876 1212A 2.067779 1213A 2.069954
5705 1214A 2.074757 1215A 2.075365 1216A 2.078146
5706 1217A 2.083614 1218A 2.084278 1219A 2.088103
5707 1220A 2.092694 1221A 2.094192 1222A 2.097889
5708 1223A 2.102765 1224A 2.103878 1225A 2.107845
5709 1226A 2.110460 1227A 2.111212 1228A 2.118066
5710 1229A 2.120446 1230A 2.124269 1231A 2.127754
5711 1232A 2.129487 1233A 2.132754 1234A 2.135538
5712 1235A 2.136678 1236A 2.138741 1237A 2.143048
5713 1238A 2.147399 1239A 2.151079 1240A 2.153236
5714 1241A 2.156753 1242A 2.158506 1243A 2.160593
5715 1244A 2.167587 1245A 2.170288 1246A 2.173879
5716 1247A 2.179320 1248A 2.181493 1249A 2.184237
5717 1250A 2.185643 1251A 2.188375 1252A 2.192910
5718 1253A 2.193739 1254A 2.196821 1255A 2.197243
5719 1256A 2.202098 1257A 2.203323 1258A 2.206982
5720 1259A 2.210254 1260A 2.212280 1261A 2.219903
5721 1262A 2.221313 1263A 2.222978 1264A 2.225946
5722 1265A 2.226971 1266A 2.231557 1267A 2.233108
5723 1268A 2.236795 1269A 2.237176 1270A 2.240823
5724 1271A 2.243748 1272A 2.243878 1273A 2.245213
5725 1274A 2.248578 1275A 2.252752 1276A 2.258763
5726 1277A 2.262234 1278A 2.262853 1279A 2.265944
5727 1280A 2.268121 1281A 2.275060 1282A 2.277502
5728 1283A 2.279194 1284A 2.281963 1285A 2.283023
5729 1286A 2.288714 1287A 2.294504 1288A 2.295601
5730 1289A 2.302086 1290A 2.305783 1291A 2.311133
5731 1292A 2.315968 1293A 2.323261 1294A 2.327118
5732 1295A 2.338066 1296A 2.340652 1297A 2.343689
5733 1298A 2.347952 1299A 2.350784 1300A 2.353860
5734 1301A 2.357145 1302A 2.361392 1303A 2.366312
5735 1304A 2.371272 1305A 2.373146 1306A 2.375016
5736 1307A 2.380739 1308A 2.389495 1309A 2.392575
5737 1310A 2.401969 1311A 2.403748 1312A 2.406813
5738 1313A 2.408664 1314A 2.411203 1315A 2.417440
5739 1316A 2.421457 1317A 2.424973 1318A 2.428881
5740 1319A 2.430058 1320A 2.431985 1321A 2.436838
5741 1322A 2.443192 1323A 2.446098 1324A 2.448785
5742 1325A 2.450321 1326A 2.452995 1327A 2.453944
5743 1328A 2.459376 1329A 2.461329 1330A 2.467406
5744 1331A 2.471339 1332A 2.472881 1333A 2.474311
5745 1334A 2.479167 1335A 2.480765 1336A 2.487733
5746 1337A 2.490469 1338A 2.502369 1339A 2.506181
5747 1340A 2.511917 1341A 2.517208 1342A 2.525036
5748 1343A 2.531433 1344A 2.533657 1345A 2.535591
5749 1346A 2.538582 1347A 2.543273 1348A 2.547533
5750 1349A 2.552057 1350A 2.554889 1351A 2.556501
5751 1352A 2.560240 1353A 2.564807 1354A 2.565185
5752 1355A 2.567740 1356A 2.570785 1357A 2.572714
5753 1358A 2.574273 1359A 2.577177 1360A 2.581691
5754 1361A 2.584885 1362A 2.587851 1363A 2.589782
5755 1364A 2.592743 1365A 2.597125 1366A 2.597877
5756 1367A 2.602224 1368A 2.604233 1369A 2.609592
5757 1370A 2.622407 1371A 2.628811 1372A 2.636305
5758 1373A 2.655415 1374A 2.663619 1375A 2.665591
5759 1376A 2.669445 1377A 2.680197 1378A 2.681284
5760 1379A 2.686003 1380A 2.688019 1381A 2.692606
5761 1382A 2.698466 1383A 2.700889 1384A 2.702905
5762 1385A 2.707480 1386A 2.711343 1387A 2.712234
5763 1388A 2.717953 1389A 2.721588 1390A 2.724580
5764 1391A 2.730363 1392A 2.732761 1393A 2.740632
5765 1394A 2.746478 1395A 2.750191 1396A 2.750650
5766 1397A 2.752990 1398A 2.757002 1399A 2.760460
5767 1400A 2.763441 1401A 2.770248 1402A 2.771210
5768 1403A 2.774805 1404A 2.780963 1405A 2.782589
5769 1406A 2.786746 1407A 2.791581 1408A 2.794521
5770 1409A 2.797503 1410A 2.801285 1411A 2.805094
5771 1412A 2.806992 1413A 2.810480 1414A 2.812006
5772 1415A 2.814315 1416A 2.820170 1417A 2.825205
5773 1418A 2.826503 1419A 2.828189 1420A 2.830926
5774 1421A 2.832753 1422A 2.835798 1423A 2.838418
5775 1424A 2.844354 1425A 2.849130 1426A 2.850481
5776 1427A 2.854133 1428A 2.855356 1429A 2.859343
5777 1430A 2.861174 1431A 2.863190 1432A 2.868776
5778 1433A 2.870451 1434A 2.873241 1435A 2.874850
5779 1436A 2.878960 1437A 2.883512 1438A 2.887604
5780 1439A 2.890371 1440A 2.893369 1441A 2.894738
5781 1442A 2.896925 1443A 2.900628 1444A 2.903204
5782 1445A 2.903665 1446A 2.908010 1447A 2.910109
5783 1448A 2.912702 1449A 2.913440 1450A 2.916047
5784 1451A 2.921370 1452A 2.925662 1453A 2.926918
5785 1454A 2.929546 1455A 2.931471 1456A 2.933554
5786 1457A 2.939259 1458A 2.943095 1459A 2.945727
5787 1460A 2.947299 1461A 2.951155 1462A 2.955832
5788 1463A 2.956432 1464A 2.959713 1465A 2.962049
5789 1466A 2.966145 1467A 2.967532 1468A 2.970676
5790 1469A 2.973622 1470A 2.974155 1471A 2.977364
5791 1472A 2.981403 1473A 2.983957 1474A 2.985809
5792 1475A 2.988794 1476A 2.993479 1477A 2.995348
5793 1478A 2.996154 1479A 2.999357 1480A 3.000218
5794 1481A 3.003938 1482A 3.005818 1483A 3.008647
5795 1484A 3.012714 1485A 3.012939 1486A 3.014555
5796 1487A 3.018073 1488A 3.021280 1489A 3.024797
5797 1490A 3.025863 1491A 3.030599 1492A 3.032356
5798 1493A 3.035744 1494A 3.037252 1495A 3.043549
5799 1496A 3.044898 1497A 3.045846 1498A 3.048894
5800 1499A 3.049880 1500A 3.051178 1501A 3.054176
5801 1502A 3.058459 1503A 3.060658 1504A 3.062787
5802 1505A 3.063062 1506A 3.067313 1507A 3.069790
5803 1508A 3.071684 1509A 3.074033 1510A 3.075659
5804 1511A 3.078885 1512A 3.084518 1513A 3.087259
5805 1514A 3.088867 1515A 3.091298 1516A 3.094374
5806 1517A 3.096012 1518A 3.097378 1519A 3.103039
5807 1520A 3.103522 1521A 3.107699 1522A 3.108569
5808 1523A 3.109730 1524A 3.111721 1525A 3.116456
5809 1526A 3.120288 1527A 3.123481 1528A 3.128900
5810 1529A 3.132636 1530A 3.133505 1531A 3.137376
5811 1532A 3.140565 1533A 3.144299 1534A 3.144843
5812 1535A 3.147937 1536A 3.149275 1537A 3.156225
5813 1538A 3.157945 1539A 3.158935 1540A 3.160677
5814 1541A 3.162615 1542A 3.164735 1543A 3.169324
5815 1544A 3.170513 1545A 3.174236 1546A 3.174768
5816 1547A 3.177687 1548A 3.180019 1549A 3.180611
5817 1550A 3.182397 1551A 3.184561 1552A 3.186312
5818 1553A 3.187908 1554A 3.191669 1555A 3.192144
5819 1556A 3.194106 1557A 3.197194 1558A 3.198303
5820 1559A 3.200003 1560A 3.201724 1561A 3.204378
5821 1562A 3.205486 1563A 3.207356 1564A 3.209731
5822 1565A 3.212371 1566A 3.213054 1567A 3.217416
5823 1568A 3.218177 1569A 3.219735 1570A 3.222479
5824 1571A 3.223554 1572A 3.225003 1573A 3.227490
5825 1574A 3.228959 1575A 3.231043 1576A 3.232071
5826 1577A 3.233994 1578A 3.235106 1579A 3.235430
5827 1580A 3.239808 1581A 3.243018 1582A 3.245746
5828 1583A 3.247647 1584A 3.249591 1585A 3.251552
5829 1586A 3.252253 1587A 3.252572 1588A 3.254767
5830 1589A 3.257984 1590A 3.258683 1591A 3.261614
5831 1592A 3.263811 1593A 3.264942 1594A 3.266521
5832 1595A 3.268302 1596A 3.272403 1597A 3.273962
5833 1598A 3.274529 1599A 3.279698 1600A 3.281001
5834 1601A 3.283157 1602A 3.283611 1603A 3.284917
5835 1604A 3.286835 1605A 3.288977 1606A 3.290034
5836 1607A 3.291433 1608A 3.294518 1609A 3.295760
5837 1610A 3.296847 1611A 3.297833 1612A 3.299738
5838 1613A 3.302184 1614A 3.304054 1615A 3.305944
5839 1616A 3.307387 1617A 3.308662 1618A 3.310760
5840 1619A 3.313811 1620A 3.318008 1621A 3.318799
5841 1622A 3.320415 1623A 3.321727 1624A 3.325826
5842 1625A 3.327145 1626A 3.327562 1627A 3.330567
5843 1628A 3.330726 1629A 3.335305 1630A 3.338231
5844 1631A 3.339758 1632A 3.341029 1633A 3.343020
5845 1634A 3.343971 1635A 3.345811 1636A 3.346436
5846 1637A 3.348234 1638A 3.350003 1639A 3.351542
5847 1640A 3.354346 1641A 3.358367 1642A 3.359781
5848 1643A 3.361567 1644A 3.362868 1645A 3.363500
5849 1646A 3.367377 1647A 3.367910 1648A 3.370608
5850 1649A 3.372715 1650A 3.375112 1651A 3.377452
5851 1652A 3.379394 1653A 3.380915 1654A 3.382309
5852 1655A 3.386128 1656A 3.388199 1657A 3.390087
5853 1658A 3.391124 1659A 3.394307 1660A 3.397381
5854 1661A 3.398737 1662A 3.399381 1663A 3.401304
5855 1664A 3.405214 1665A 3.406969 1666A 3.408034
5856 1667A 3.409677 1668A 3.412187 1669A 3.413342
5857 1670A 3.414454 1671A 3.417038 1672A 3.419880
5858 1673A 3.421688 1674A 3.423752 1675A 3.426921
5859 1676A 3.428757 1677A 3.429480 1678A 3.430931
5860 1679A 3.432483 1680A 3.435465 1681A 3.437460
5861 1682A 3.438165 1683A 3.441000 1684A 3.442219
5862 1685A 3.443326 1686A 3.445141 1687A 3.446540
5863 1688A 3.448215 1689A 3.451481 1690A 3.452975
5864 1691A 3.454583 1692A 3.454868 1693A 3.456499
5865 1694A 3.457213 1695A 3.461723 1696A 3.464771
5866 1697A 3.465314 1698A 3.467559 1699A 3.469655
5867 1700A 3.470541 1701A 3.472467 1702A 3.473581
5868 1703A 3.476774 1704A 3.477305 1705A 3.479371
5869 1706A 3.480423 1707A 3.482736 1708A 3.483633
5870 1709A 3.484827 1710A 3.487591 1711A 3.489648
5871 1712A 3.490133 1713A 3.490947 1714A 3.493050
5872 1715A 3.493927 1716A 3.495977 1717A 3.498560
5873 1718A 3.500026 1719A 3.501743 1720A 3.502866
5874 1721A 3.505140 1722A 3.506261 1723A 3.509599
5875 1724A 3.510115 1725A 3.513244 1726A 3.513809
5876 1727A 3.515223 1728A 3.517796 1729A 3.518647
5877 1730A 3.519736 1731A 3.521849 1732A 3.525795
5878 1733A 3.527303 1734A 3.527491 1735A 3.529441
5879 1736A 3.532207 1737A 3.533185 1738A 3.534033
5880 1739A 3.535932 1740A 3.537133 1741A 3.539433
5881 1742A 3.541243 1743A 3.542372 1744A 3.543961
5882 1745A 3.546439 1746A 3.548676 1747A 3.550505
5883 1748A 3.551760 1749A 3.553357 1750A 3.556413
5884 1751A 3.559016 1752A 3.559683 1753A 3.562037
5885 1754A 3.565442 1755A 3.566075 1756A 3.566620
5886 1757A 3.568754 1758A 3.569968 1759A 3.572914
5887 1760A 3.575033 1761A 3.575702 1762A 3.575983
5888 1763A 3.578320 1764A 3.581464 1765A 3.583265
5889 1766A 3.583653 1767A 3.585391 1768A 3.588344
5890 1769A 3.589403 1770A 3.589788 1771A 3.592678
5891 1772A 3.594154 1773A 3.595717 1774A 3.596947
5892 1775A 3.599175 1776A 3.599790 1777A 3.601066
5893 1778A 3.603393 1779A 3.605234 1780A 3.605731
5894 1781A 3.607859 1782A 3.610172 1783A 3.615094
5895 1784A 3.616710 1785A 3.617473 1786A 3.619510
5896 1787A 3.621465 1788A 3.622044 1789A 3.623036
5897 1790A 3.626430 1791A 3.630710 1792A 3.632558
5898 1793A 3.635036 1794A 3.637903 1795A 3.640288
5899 1796A 3.640701 1797A 3.642673 1798A 3.645823
5900 1799A 3.646980 1800A 3.650442 1801A 3.650941
5901 1802A 3.652128 1803A 3.654064 1804A 3.655552
5902 1805A 3.656342 1806A 3.659925 1807A 3.660981
5903 1808A 3.662166 1809A 3.664277 1810A 3.666309
5904 1811A 3.667560 1812A 3.669246 1813A 3.671383
5905 1814A 3.673447 1815A 3.675313 1816A 3.676359
5906 1817A 3.679249 1818A 3.680661 1819A 3.681379
5907 1820A 3.683211 1821A 3.686985 1822A 3.687969
5908 1823A 3.689791 1824A 3.690927 1825A 3.693166
5909 1826A 3.694695 1827A 3.695516 1828A 3.697735
5910 1829A 3.700356 1830A 3.700712 1831A 3.703563
5911 1832A 3.706135 1833A 3.709154 1834A 3.711031
5912 1835A 3.711804 1836A 3.714710 1837A 3.718444
5913 1838A 3.719302 1839A 3.720343 1840A 3.721542
5914 1841A 3.723314 1842A 3.726228 1843A 3.726504
5915 1844A 3.729918 1845A 3.731143 1846A 3.735082
5916 1847A 3.735646 1848A 3.736759 1849A 3.739221
5917 1850A 3.739634 1851A 3.742329 1852A 3.743353
5918 1853A 3.747458 1854A 3.749452 1855A 3.751679
5919 1856A 3.753184 1857A 3.754656 1858A 3.755361
5920 1859A 3.757437 1860A 3.758548 1861A 3.761757
5921 1862A 3.763091 1863A 3.763862 1864A 3.768510
5922 1865A 3.769535 1866A 3.770884 1867A 3.772620
5923 1868A 3.773512 1869A 3.775192 1870A 3.776208
5924 1871A 3.778501 1872A 3.781286 1873A 3.781344
5925 1874A 3.783701 1875A 3.786068 1876A 3.786591
5926 1877A 3.789434 1878A 3.790677 1879A 3.791868
5927 1880A 3.794155 1881A 3.795335 1882A 3.796727
5928 1883A 3.800453 1884A 3.800590 1885A 3.803271
5929 1886A 3.804325 1887A 3.806682 1888A 3.809450
5930 1889A 3.811256 1890A 3.812040 1891A 3.815017
5931 1892A 3.816088 1893A 3.817622 1894A 3.818479
5932 1895A 3.822167 1896A 3.823673 1897A 3.827649
5933 1898A 3.828925 1899A 3.830694 1900A 3.831215
5934 1901A 3.835022 1902A 3.835523 1903A 3.836348
5935 1904A 3.840043 1905A 3.842499 1906A 3.843033
5936 1907A 3.847284 1908A 3.848058 1909A 3.850541
5937 1910A 3.853716 1911A 3.855814 1912A 3.858154
5938 1913A 3.861662 1914A 3.862360 1915A 3.864148
5939 1916A 3.867705 1917A 3.869836 1918A 3.870734
5940 1919A 3.874291 1920A 3.875162 1921A 3.876714
5941 1922A 3.878442 1923A 3.884293 1924A 3.885702
5942 1925A 3.888166 1926A 3.888746 1927A 3.891072
5943 1928A 3.892689 1929A 3.893118 1930A 3.894963
5944 1931A 3.897389 1932A 3.899961 1933A 3.902196
5945 1934A 3.903440 1935A 3.905274 1936A 3.907329
5946 1937A 3.910620 1938A 3.912266 1939A 3.913211
5947 1940A 3.914382 1941A 3.916928 1942A 3.917295
5948 1943A 3.921738 1944A 3.923837 1945A 3.925380
5949 1946A 3.927619 1947A 3.930783 1948A 3.932456
5950 1949A 3.932905 1950A 3.936487 1951A 3.937745
5951 1952A 3.939975 1953A 3.941421 1954A 3.944805
5952 1955A 3.945661 1956A 3.950903 1957A 3.953486
5953 1958A 3.955417 1959A 3.956503 1960A 3.958528
5954 1961A 3.958953 1962A 3.961262 1963A 3.963797
5955 1964A 3.969819 1965A 3.971213 1966A 3.972148
5956 1967A 3.973644 1968A 3.976717 1969A 3.977451
5957 1970A 3.979921 1971A 3.981200 1972A 3.983434
5958 1973A 3.985818 1974A 3.990077 1975A 3.991401
5959 1976A 3.995252 1977A 3.996821 1978A 4.000169
5960 1979A 4.001903 1980A 4.003307 1981A 4.004892
5961 1982A 4.005955 1983A 4.007913 1984A 4.009977
5962 1985A 4.011282 1986A 4.015068 1987A 4.016310
5963 1988A 4.019183 1989A 4.021760 1990A 4.023924
5964 1991A 4.025105 1992A 4.029625 1993A 4.031853
5965 1994A 4.035468 1995A 4.037467 1996A 4.037840
5966 1997A 4.043679 1998A 4.045111 1999A 4.046396
5967 2000A 4.047915 2001A 4.049421 2002A 4.051777
5968 2003A 4.052625 2004A 4.057751 2005A 4.060557
5969 2006A 4.062801 2007A 4.065665 2008A 4.067148
5970 2009A 4.071645 2010A 4.073872 2011A 4.075730
5971 2012A 4.077618 2013A 4.079874 2014A 4.084233
5972 2015A 4.086456 2016A 4.088234 2017A 4.089487
5973 2018A 4.092042 2019A 4.093210 2020A 4.098599
5974 2021A 4.098916 2022A 4.103379 2023A 4.104050
5975 2024A 4.107762 2025A 4.109765 2026A 4.112376
5976 2027A 4.115711 2028A 4.117862 2029A 4.119470
5977 2030A 4.123643 2031A 4.126390 2032A 4.129063
5978 2033A 4.130970 2034A 4.133950 2035A 4.134399
5979 2036A 4.136684 2037A 4.138811 2038A 4.140038
5980 2039A 4.143935 2040A 4.147397 2041A 4.149225
5981 2042A 4.153333 2043A 4.156792 2044A 4.158855
5982 2045A 4.161608 2046A 4.164362 2047A 4.165775
5983 2048A 4.168071 2049A 4.170657 2050A 4.172032
5984 2051A 4.176139 2052A 4.178975 2053A 4.180660
5985 2054A 4.182332 2055A 4.183990 2056A 4.187560
5986 2057A 4.192024 2058A 4.193737 2059A 4.195430
5987 2060A 4.196541 2061A 4.199672 2062A 4.203098
5988 2063A 4.203381 2064A 4.207099 2065A 4.210716
5989 2066A 4.216218 2067A 4.218350 2068A 4.220961
5990 2069A 4.223265 2070A 4.225059 2071A 4.228105
5991 2072A 4.233006 2073A 4.235385 2074A 4.238584
5992 2075A 4.239855 2076A 4.243837 2077A 4.244644
5993 2078A 4.248206 2079A 4.252284 2080A 4.253881
5994 2081A 4.258832 2082A 4.261596 2083A 4.265788
5995 2084A 4.267625 2085A 4.270453 2086A 4.274188
5996 2087A 4.274408 2088A 4.276008 2089A 4.280570
5997 2090A 4.281119 2091A 4.283001 2092A 4.284091
5998 2093A 4.284916 2094A 4.290372 2095A 4.292390
5999 2096A 4.293259 2097A 4.295942 2098A 4.300523
6000 2099A 4.301188 2100A 4.305056 2101A 4.308657
6001 2102A 4.310520 2103A 4.311782 2104A 4.316669
6002 2105A 4.320637 2106A 4.322453 2107A 4.324266
6003 2108A 4.325225 2109A 4.329578 2110A 4.331755
6004 2111A 4.334365 2112A 4.339316 2113A 4.343831
6005 2114A 4.346026 2115A 4.347303 2116A 4.350157
6006 2117A 4.351374 2118A 4.356282 2119A 4.360596
6007 2120A 4.363196 2121A 4.363544 2122A 4.365130
6008 2123A 4.370171 2124A 4.371407 2125A 4.376246
6009 2126A 4.378614 2127A 4.380428 2128A 4.382543
6010 2129A 4.387392 2130A 4.391133 2131A 4.395050
6011 2132A 4.396429 2133A 4.399041 2134A 4.400404
6012 2135A 4.404539 2136A 4.408510 2137A 4.409956
6013 2138A 4.412676 2139A 4.413411 2140A 4.418675
6014 2141A 4.420208 2142A 4.424667 2143A 4.426348
6015 2144A 4.429900 2145A 4.431528 2146A 4.433364
6016 2147A 4.437726 2148A 4.439270 2149A 4.441077
6017 2150A 4.443128 2151A 4.445717 2152A 4.447277
6018 2153A 4.451045 2154A 4.452442 2155A 4.453642
6019 2156A 4.456976 2157A 4.457481 2158A 4.462027
6020 2159A 4.463337 2160A 4.464132 2161A 4.469154
6021 2162A 4.469975 2163A 4.472321 2164A 4.475517
6022 2165A 4.479063 2166A 4.480916 2167A 4.481952
6023 2168A 4.485749 2169A 4.489157 2170A 4.491012
6024 2171A 4.495232 2172A 4.497139 2173A 4.498683
6025 2174A 4.501918 2175A 4.504012 2176A 4.506250
6026 2177A 4.510509 2178A 4.511393 2179A 4.512818
6027 2180A 4.514483 2181A 4.518088 2182A 4.519789
6028 2183A 4.521925 2184A 4.524623 2185A 4.525180
6029 2186A 4.526574 2187A 4.530053 2188A 4.535047
6030 2189A 4.535744 2190A 4.538546 2191A 4.538912
6031 2192A 4.541293 2193A 4.544408 2194A 4.548464
6032 2195A 4.549853 2196A 4.552183 2197A 4.554202
6033 2198A 4.555612 2199A 4.557076 2200A 4.558740
6034 2201A 4.560613 2202A 4.560870 2203A 4.564943
6035 2204A 4.565519 2205A 4.567030 2206A 4.570055
6036 2207A 4.571302 2208A 4.573722 2209A 4.575970
6037 2210A 4.579043 2211A 4.581403 2212A 4.584389
6038 2213A 4.585918 2214A 4.588251 2215A 4.590840
6039 2216A 4.591175 2217A 4.593817 2218A 4.594650
6040 2219A 4.599102 2220A 4.600740 2221A 4.602637
6041 2222A 4.607603 2223A 4.609285 2224A 4.610723
6042 2225A 4.613574 2226A 4.615423 2227A 4.619339
6043 2228A 4.621730 2229A 4.622165 2230A 4.625324
6044 2231A 4.630367 2232A 4.632468 2233A 4.636577
6045 2234A 4.637229 2235A 4.638286 2236A 4.642841
6046 2237A 4.643635 2238A 4.644644 2239A 4.646307
6047 2240A 4.650974 2241A 4.655810 2242A 4.658273
6048 2243A 4.660891 2244A 4.662790 2245A 4.664552
6049 2246A 4.666918 2247A 4.673464 2248A 4.674109
6050 2249A 4.675922 2250A 4.677440 2251A 4.679251
6051 2252A 4.681176 2253A 4.682957 2254A 4.685666
6052 2255A 4.688272 2256A 4.691818 2257A 4.694170
6053 2258A 4.695871 2259A 4.700796 2260A 4.701688
6054 2261A 4.702733 2262A 4.704346 2263A 4.706082
6055 2264A 4.710036 2265A 4.710914 2266A 4.718718
6056 2267A 4.721361 2268A 4.722689 2269A 4.725140
6057 2270A 4.726984 2271A 4.731615 2272A 4.732339
6058 2273A 4.735450 2274A 4.736993 2275A 4.737933
6059 2276A 4.741587 2277A 4.745425 2278A 4.747782
6060 2279A 4.752741 2280A 4.753717 2281A 4.757833
6061 2282A 4.758147 2283A 4.762471 2284A 4.764695
6062 2285A 4.766413 2286A 4.769447 2287A 4.770562
6063 2288A 4.774249 2289A 4.777450 2290A 4.778342
6064 2291A 4.781503 2292A 4.784015 2293A 4.786459
6065 2294A 4.790982 2295A 4.792542 2296A 4.795834
6066 2297A 4.798164 2298A 4.806956 2299A 4.812006
6067 2300A 4.813024 2301A 4.814891 2302A 4.817177
6068 2303A 4.823830 2304A 4.829238 2305A 4.831467
6069 2306A 4.831992 2307A 4.841778 2308A 4.844104
6070 2309A 4.845967 2310A 4.850723 2311A 4.855582
6071 2312A 4.861354 2313A 4.861780 2314A 4.866171
6072 2315A 4.870712 2316A 4.876068 2317A 4.880749
6073 2318A 4.882328 2319A 4.885137 2320A 4.890415
6074 2321A 4.894189 2322A 4.898566 2323A 4.901929
6075 2324A 4.910486 2325A 4.915313 2326A 4.919689
6076 2327A 4.924468 2328A 4.931853 2329A 4.938348
6077 2330A 4.945159 2331A 4.947371 2332A 4.953826
6078 2333A 4.959786 2334A 4.968596 2335A 4.969471
6079 2336A 4.971480 2337A 4.973605 2338A 4.980606
6080 2339A 4.985388 2340A 4.991763 2341A 4.994190
6081 2342A 4.998136 2343A 5.000841 2344A 5.003845
6082 2345A 5.006774 2346A 5.011597 2347A 5.014953
6083 2348A 5.017090 2349A 5.018788 2350A 5.022697
6084 2351A 5.023347 2352A 5.028142 2353A 5.030426
6085 2354A 5.034478 2355A 5.038172 2356A 5.039403
6086 2357A 5.041573 2358A 5.047745 2359A 5.052677
6087 2360A 5.053647 2361A 5.055986 2362A 5.059113
6088 2363A 5.059986 2364A 5.063626 2365A 5.067959
6089 2366A 5.070526 2367A 5.071067 2368A 5.071441
6090 2369A 5.073614 2370A 5.075729 2371A 5.078325
6091 2372A 5.081988 2373A 5.084763 2374A 5.089697
6092 2375A 5.092281 2376A 5.094402 2377A 5.096155
6093 2378A 5.100381 2379A 5.102550 2380A 5.104274
6094 2381A 5.108789 2382A 5.112028 2383A 5.113037
6095 2384A 5.117150 2385A 5.117748 2386A 5.122826
6096 2387A 5.123796 2388A 5.128785 2389A 5.129898
6097 2390A 5.130843 2391A 5.134423 2392A 5.139269
6098 2393A 5.142978 2394A 5.143844 2395A 5.147847
6099 2396A 5.151663 2397A 5.153889 2398A 5.155403
6100 2399A 5.160482 2400A 5.160838 2401A 5.162491
6101 2402A 5.165792 2403A 5.168017 2404A 5.172921
6102 2405A 5.174813 2406A 5.178220 2407A 5.180071
6103 2408A 5.182276 2409A 5.187494 2410A 5.190118
6104 2411A 5.191976 2412A 5.193667 2413A 5.198638
6105 2414A 5.199766 2415A 5.203214 2416A 5.207313
6106 2417A 5.208359 2418A 5.211576 2419A 5.212945
6107 2420A 5.214908 2421A 5.217029 2422A 5.218608
6108 2423A 5.223124 2424A 5.224531 2425A 5.226742
6109 2426A 5.228274 2427A 5.231346 2428A 5.233322
6110 2429A 5.235746 2430A 5.236273 2431A 5.238671
6111 2432A 5.239876 2433A 5.241712 2434A 5.243682
6112 2435A 5.247746 2436A 5.253068 2437A 5.255542
6113 2438A 5.258755 2439A 5.260351 2440A 5.263359
6114 2441A 5.267643 2442A 5.269017 2443A 5.274374
6115 2444A 5.275463 2445A 5.275603 2446A 5.279232
6116 2447A 5.280639 2448A 5.285693 2449A 5.291530
6117 2450A 5.293248 2451A 5.295934 2452A 5.299300
6118 2453A 5.300820 2454A 5.303392 2455A 5.304395
6119 2456A 5.308549 2457A 5.311384 2458A 5.314666
6120 2459A 5.320212 2460A 5.322040 2461A 5.322678
6121 2462A 5.323841 2463A 5.328453 2464A 5.331759
6122 2465A 5.334558 2466A 5.338987 2467A 5.339821
6123 2468A 5.345228 2469A 5.347094 2470A 5.350452
6124 2471A 5.352278 2472A 5.353505 2473A 5.356252
6125 2474A 5.362077 2475A 5.363599 2476A 5.365963
6126 2477A 5.369426 2478A 5.371490 2479A 5.373746
6127 2480A 5.375644 2481A 5.377883 2482A 5.381271
6128 2483A 5.384640 2484A 5.385280 2485A 5.388136
6129 2486A 5.390274 2487A 5.390776 2488A 5.392844
6130 2489A 5.396004 2490A 5.399630 2491A 5.403020
6131 2492A 5.404472 2493A 5.407794 2494A 5.409539
6132 2495A 5.410873 2496A 5.415976 2497A 5.418820
6133 2498A 5.420023 2499A 5.422021 2500A 5.424900
6134 2501A 5.428813 2502A 5.432371 2503A 5.434201
6135 2504A 5.435957 2505A 5.442436 2506A 5.444051
6136 2507A 5.445963 2508A 5.448591 2509A 5.454162
6137 2510A 5.457568 2511A 5.460619 2512A 5.463756
6138 2513A 5.466798 2514A 5.468724 2515A 5.473580
6139 2516A 5.476066 2517A 5.477404 2518A 5.480386
6140 2519A 5.486492 2520A 5.489988 2521A 5.491880
6141 2522A 5.493109 2523A 5.496159 2524A 5.499603
6142 2525A 5.503193 2526A 5.507794 2527A 5.512965
6143 2528A 5.513697 2529A 5.519593 2530A 5.521156
6144 2531A 5.522705 2532A 5.525372 2533A 5.535823
6145 2534A 5.537827 2535A 5.540579 2536A 5.545913
6146 2537A 5.546448 2538A 5.553584 2539A 5.555626
6147 2540A 5.559771 2541A 5.562242 2542A 5.564262
6148 2543A 5.566083 2544A 5.570547 2545A 5.574102
6149 2546A 5.578664 2547A 5.581423 2548A 5.586450
6150 2549A 5.588967 2550A 5.591843 2551A 5.594474
6151 2552A 5.595099 2553A 5.599252 2554A 5.600424
6152 2555A 5.602669 2556A 5.603801 2557A 5.609173
6153 2558A 5.610163 2559A 5.611791 2560A 5.616720
6154 2561A 5.618014 2562A 5.620274 2563A 5.621978
6155 2564A 5.625968 2565A 5.628804 2566A 5.629377
6156 2567A 5.633938 2568A 5.635510 2569A 5.636534
6157 2570A 5.638255 2571A 5.642043 2572A 5.642558
6158 2573A 5.643057 2574A 5.644338 2575A 5.648176
6159 2576A 5.649345 2577A 5.650360 2578A 5.653240
6160 2579A 5.655976 2580A 5.658051 2581A 5.658403
6161 2582A 5.660257 2583A 5.662119 2584A 5.662676
6162 2585A 5.666161 2586A 5.666782 2587A 5.669029
6163 2588A 5.672259 2589A 5.676609 2590A 5.677301
6164 2591A 5.680505 2592A 5.682996 2593A 5.685764
6165 2594A 5.688925 2595A 5.692649 2596A 5.694446
6166 2597A 5.695978 2598A 5.697641 2599A 5.700519
6167 2600A 5.701339 2601A 5.703783 2602A 5.705324
6168 2603A 5.706520 2604A 5.708457 2605A 5.709960
6169 2606A 5.713537 2607A 5.718470 2608A 5.719949
6170 2609A 5.720359 2610A 5.722106 2611A 5.723007
6171 2612A 5.724970 2613A 5.727808 2614A 5.729222
6172 2615A 5.730681 2616A 5.732517 2617A 5.734980
6173 2618A 5.736098 2619A 5.737758 2620A 5.740298
6174 2621A 5.742046 2622A 5.744033 2623A 5.744652
6175 2624A 5.746978 2625A 5.749914 2626A 5.750524
6176 2627A 5.753469 2628A 5.754551 2629A 5.755395
6177 2630A 5.757256 2631A 5.758787 2632A 5.760133
6178 2633A 5.762272 2634A 5.765866 2635A 5.769169
6179 2636A 5.769482 2637A 5.771402 2638A 5.774219
6180 2639A 5.777957 2640A 5.779205 2641A 5.782115
6181 2642A 5.782881 2643A 5.787183 2644A 5.790219
6182 2645A 5.792138 2646A 5.792852 2647A 5.795430
6183 2648A 5.797475 2649A 5.799120 2650A 5.805421
6184 2651A 5.806399 2652A 5.807828 2653A 5.810154
6185 2654A 5.813802 2655A 5.818036 2656A 5.821471
6186 2657A 5.822164 2658A 5.824458 2659A 5.826525
6187 2660A 5.828097 2661A 5.829348 2662A 5.831664
6188 2663A 5.835176 2664A 5.836698 2665A 5.839843
6189 2666A 5.842895 2667A 5.845295 2668A 5.848304
6190 2669A 5.851272 2670A 5.852458 2671A 5.857557
6191 2672A 5.859374 2673A 5.860053 2674A 5.865130
6192 2675A 5.869978 2676A 5.871604 2677A 5.874077
6193 2678A 5.876433 2679A 5.880185 2680A 5.880364
6194 2681A 5.884249 2682A 5.886598 2683A 5.890160
6195 2684A 5.891039 2685A 5.894104 2686A 5.895662
6196 2687A 5.899310 2688A 5.900054 2689A 5.904071
6197 2690A 5.905617 2691A 5.908865 2692A 5.912741
6198 2693A 5.915343 2694A 5.916498 2695A 5.921232
6199 2696A 5.921702 2697A 5.923602 2698A 5.926547
6200 2699A 5.931406 2700A 5.935285 2701A 5.940000
6201 2702A 5.942275 2703A 5.944952 2704A 5.951242
6202 2705A 5.955555 2706A 5.958175 2707A 5.963157
6203 2708A 5.970976 2709A 5.976533 2710A 5.989149
6204 2711A 5.992005 2712A 6.000469 2713A 6.004605
6205 2714A 6.007624 2715A 6.010733 2716A 6.014857
6206 2717A 6.016936 2718A 6.019684 2719A 6.026792
6207 2720A 6.027271 2721A 6.031575 2722A 6.035926
6208 2723A 6.037478 2724A 6.039565 2725A 6.040700
6209 2726A 6.041604 2727A 6.042672 2728A 6.047785
6210 2729A 6.050134 2730A 6.051752 2731A 6.056741
6211 2732A 6.062391 2733A 6.065003 2734A 6.072997
6212 2735A 6.076575 2736A 6.078542 2737A 6.080441
6213 2738A 6.082057 2739A 6.085719 2740A 6.091485
6214 2741A 6.095387 2742A 6.098563 2743A 6.100345
6215 2744A 6.108534 2745A 6.110592 2746A 6.112833
6216 2747A 6.116847 2748A 6.119132 2749A 6.121401
6217 2750A 6.126675 2751A 6.133858 2752A 6.136266
6218 2753A 6.140552 2754A 6.147021 2755A 6.158139
6219 2756A 6.160207 2757A 6.161706 2758A 6.163577
6220 2759A 6.166761 2760A 6.169968 2761A 6.171186
6221 2762A 6.175912 2763A 6.183377 2764A 6.184181
6222 2765A 6.185905 2766A 6.190708 2767A 6.192118
6223 2768A 6.196429 2769A 6.201516 2770A 6.202664
6224 2771A 6.203466 2772A 6.205960 2773A 6.207388
6225 2774A 6.208718 2775A 6.211969 2776A 6.214354
6226 2777A 6.218595 2778A 6.221643 2779A 6.225293
6227 2780A 6.228999 2781A 6.229652 2782A 6.233378
6228 2783A 6.238881 2784A 6.239100 2785A 6.242668
6229 2786A 6.245776 2787A 6.250461 2788A 6.251017
6230 2789A 6.253347 2790A 6.254101 2791A 6.257958
6231 2792A 6.261261 2793A 6.264211 2794A 6.265685
6232 2795A 6.271935 2796A 6.274432 2797A 6.277094
6233 2798A 6.278906 2799A 6.280940 2800A 6.287076
6234 2801A 6.294117 2802A 6.297114 2803A 6.298433
6235 2804A 6.301376 2805A 6.303623 2806A 6.308937
6236 2807A 6.312043 2808A 6.315946 2809A 6.316339
6237 2810A 6.322552 2811A 6.324748 2812A 6.330239
6238 2813A 6.331025 2814A 6.334686 2815A 6.339103
6239 2816A 6.343382 2817A 6.343588 2818A 6.345912
6240 2819A 6.351697 2820A 6.355041 2821A 6.356878
6241 2822A 6.360640 2823A 6.362583 2824A 6.366274
6242 2825A 6.374519 2826A 6.376445 2827A 6.379502
6243 2828A 6.383256 2829A 6.385242 2830A 6.389081
6244 2831A 6.392163 2832A 6.394849 2833A 6.399893
6245 2834A 6.400886 2835A 6.405031 2836A 6.409215
6246 2837A 6.413637 2838A 6.415543 2839A 6.416885
6247 2840A 6.419683 2841A 6.422782 2842A 6.424382
6248 2843A 6.427627 2844A 6.428026 2845A 6.432464
6249 2846A 6.438562 2847A 6.440269 2848A 6.442894
6250 2849A 6.447540 2850A 6.449653 2851A 6.454193
6251 2852A 6.457192 2853A 6.461616 2854A 6.466614
6252 2855A 6.471857 2856A 6.474976 2857A 6.478216
6253 2858A 6.479446 2859A 6.480785 2860A 6.488014
6254 2861A 6.488988 2862A 6.491176 2863A 6.493271
6255 2864A 6.494239 2865A 6.501979 2866A 6.502010
6256 2867A 6.507035 2868A 6.508019 2869A 6.510475
6257 2870A 6.526426 2871A 6.534231 2872A 6.535329
6258 2873A 6.544883 2874A 6.549833 2875A 6.553454
6259 2876A 6.562982 2877A 6.567233 2878A 6.567933
6260 2879A 6.572022 2880A 6.577207 2881A 6.585383
6261 2882A 6.589449 2883A 6.596006 2884A 6.612354
6262 2885A 6.615530 2886A 6.624611 2887A 6.629417
6263 2888A 6.633562 2889A 6.638304 2890A 6.645216
6264 2891A 6.650819 2892A 6.652116 2893A 6.653773
6265 2894A 6.656135 2895A 6.659577 2896A 6.662732
6266 2897A 6.667505 2898A 6.669279 2899A 6.672627
6267 2900A 6.674676 2901A 6.675616 2902A 6.679802
6268 2903A 6.684724 2904A 6.685862 2905A 6.689730
6269 2906A 6.692208 2907A 6.695288 2908A 6.702898
6270 2909A 6.705591 2910A 6.708475 2911A 6.714604
6271 2912A 6.725172 2913A 6.746085 2914A 6.749272
6272 2915A 6.756214 2916A 6.757553 2917A 6.759431
6273 2918A 6.759714 2919A 6.762623 2920A 6.765248
6274 2921A 6.765956 2922A 6.767841 2923A 6.770018
6275 2924A 6.774553 2925A 6.775287 2926A 6.775938
6276 2927A 6.905683 2928A 6.906996 2929A 6.913522
6277 2930A 6.915238 2931A 6.917217 2932A 6.920521
6278 2933A 6.923068 2934A 6.924499 2935A 6.929002
6279 2936A 6.931650 2937A 6.935984 2938A 6.939986
6280 2939A 6.953789 2940A 6.956658 2941A 6.969894
6281 2942A 6.970854 2943A 6.973193 2944A 6.975554
6282 2945A 6.978467 2946A 6.978658 2947A 6.980666
6283 2948A 6.982207 2949A 6.983253 2950A 6.986161
6284 2951A 6.986885 2952A 6.993167 2953A 6.995532
6285 2954A 6.999456 2955A 7.148858 2956A 7.150801
6286 2957A 7.158498 2958A 7.163585 2959A 7.173219
6287 2960A 7.185068 2961A 7.194339 2962A 7.199855
6288 2963A 7.211720 2964A 7.219049 2965A 7.235475
6289 2966A 7.243399 2967A 7.253180 2968A 7.260010
6290 2969A 7.402223 2970A 7.404555 2971A 7.406616
6291 2972A 7.409788 2973A 7.411481 2974A 7.412029
6292 2975A 7.414137 2976A 7.416213 2977A 7.419065
6293 2978A 7.422436 2979A 7.432950 2980A 7.436656
6294 2981A 7.438444 2982A 7.441833 2983A 7.460833
6295 2984A 7.465632 2985A 7.466846 2986A 7.468726
6296 2987A 7.473720 2988A 7.475433 2989A 7.482424
6297 2990A 7.487028 2991A 7.489206 2992A 7.492317
6298 2993A 7.494351 2994A 7.498118 2995A 7.503205
6299 2996A 7.510259 2997A 7.582347 2998A 7.584065
6300 2999A 7.592539 3000A 7.596689 3001A 7.600461
6301 3002A 7.607588 3003A 7.609078 3004A 7.611479
6302 3005A 7.616582 3006A 7.619648 3007A 7.636827
6303 3008A 7.641045 3009A 7.647438 3010A 7.647767
6304 3011A 7.720304 3012A 7.724869 3013A 7.735152
6305 3014A 7.738149 3015A 7.744839 3016A 7.748148
6306 3017A 7.752642 3018A 7.755621 3019A 7.760134
6307 3020A 7.761677 3021A 7.764227 3022A 7.770598
6308 3023A 7.772723 3024A 7.780993 3025A 10.006935
6309 3026A 10.062415 3027A 10.080741 3028A 10.173395
6310 3029A 10.183383 3030A 10.258284 3031A 10.273893
6311 3032A 10.287819 3033A 10.320913 3034A 10.399276
6312 3035A 10.458605 3036A 10.526795 3037A 10.567453
6313 3038A 10.598461 3039A 11.737805 3040A 11.810450
6314 3041A 11.939321 3042A 12.060256 3043A 12.113621
6315 3044A 12.136166 3045A 12.193361 3046A 12.229939
6316 3047A 12.258284 3048A 12.270302 3049A 12.301666
6317 3050A 12.326269 3051A 12.358302 3052A 12.361598
6318 3053A 12.366211 3054A 12.391737 3055A 12.416372
6319 3056A 12.428889 3057A 12.457592 3058A 12.476148
6320 3059A 12.491481 3060A 12.492959 3061A 12.514434
6321 3062A 12.521571 3063A 12.531924 3064A 12.559536
6322 3065A 12.562201 3066A 12.616198 3067A 12.922022
6323 3068A 13.015912 3069A 13.051761 3070A 13.071502
6324 3071A 13.108412 3072A 13.167368 3073A 13.214846
6325 3074A 13.406466 3075A 13.420107 3076A 13.545152
6326 3077A 13.569350 3078A 13.626502 3079A 13.658204
6327 3080A 13.690986 3081A 13.703286 3082A 13.714759
6328 3083A 13.737177 3084A 13.760056 3085A 13.781343
6329 3086A 13.796591 3087A 13.863600 3088A 13.874297
6330 3089A 13.892407 3090A 13.925075 3091A 13.987221
6331 3092A 13.995528 3093A 14.029057 3094A 14.051825
6332 3095A 14.105964 3096A 14.130845 3097A 14.136782
6333 3098A 14.143739 3099A 14.200169 3100A 14.217627
6334 3101A 14.224072 3102A 14.253757 3103A 14.285963
6335 3104A 14.309505 3105A 14.318390 3106A 14.335751
6336 3107A 14.357131 3108A 14.398759
6337
6338 Final Occupation by Irrep:
6339 A
6340 DOCC [ 301 ]
6341 NA [ 301 ]
6342 NB [ 301 ]
6343
6344 @DF-RHF Final Energy: -4189.31657079897559
6345
6346 => Energetics <=
6347
6348 Nuclear Repulsion Energy = 16791.5448228344685049
6349 One-Electron Energy = -39226.8234013773981133
6350 Two-Electron Energy = 18245.9620077439540182
6351 Total Energy = -4189.3165707989755902
6352
6353Computation Completed
6354
6355
6356Properties will be evaluated at 0.000000, 0.000000, 0.000000 [a0]
6357
6358Properties computed using the SCF density matrix
6359
6360
6361 Multipole Moments:
6362
6363 ------------------------------------------------------------------------------------
6364 Multipole Electronic (a.u.) Nuclear (a.u.) Total (a.u.)
6365 ------------------------------------------------------------------------------------
6366
6367 L = 1. Multiply by 2.5417464519 to convert [e a0] to [Debye]
6368 Dipole X : 81.6648033 -81.4584348 0.2063685
6369 Dipole Y : 50.7707941 -50.7760762 -0.0052820
6370 Dipole Z : 59.1419412 -59.1077509 0.0341903
6371 Magnitude : 0.2092483
6372
6373 ------------------------------------------------------------------------------------
6374
6375*** tstop() called on ac0111 at Sat Oct 11 12:36:14 2025
6376Module time:
6377 user time = 26241.67 seconds = 437.36 minutes
6378 system time = 765.56 seconds = 12.76 minutes
6379 total time = 1780 seconds = 29.67 minutes
6380Total time:
6381 user time = 143954.79 seconds = 2399.25 minutes
6382 system time = 4048.57 seconds = 67.48 minutes
6383 total time = 10050 seconds = 167.50 minutes
6384
6385 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
6386 // Monomer B HF (Monomer Basis) //
6387 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
6388
6389 => Libint2 <=
6390
6391 Primary basis highest AM E, G, H: 5, 4, 3
6392 Auxiliary basis highest AM E, G, H: 6, 5, 4
6393 Onebody basis highest AM E, G, H: 6, 5, 4
6394 Solid Harmonics ordering: gaussian
6395
6396*** tstart() called on ac0111
6397*** at Sat Oct 11 12:36:14 2025
6398
6399 => Loading Basis Set <=
6400
6401 Name: CC-PVTZ
6402 Role: ORBITAL
6403 Keyword: BASIS
6404 atoms 1-2 entry N line 224 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
6405 atoms 3-12 entry C line 186 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
6406 atoms 13-14 entry Cl line 847 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
6407 atoms 15-27 entry H line 23 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz.gbs
6408
6409
6410 ---------------------------------------------------------
6411 SCF
6412 by Justin Turney, Rob Parrish, Andy Simmonett
6413 and Daniel G. A. Smith
6414 RHF Reference
6415 24 Threads, 71525 MiB Core
6416 ---------------------------------------------------------
6417
6418 ==> Geometry <==
6419
6420 Molecular point group: c1
6421 Full point group: C1
6422
6423 Geometry (in Angstrom), charge = 1, multiplicity = 1:
6424
6425 Center X Y Z Mass
6426 ------------ ----------------- ----------------- ----------------- -----------------
6427 N -2.763967726341 -2.115281967028 -1.619416895151 14.003074004430
6428 N -0.568469008506 -0.476026026414 -0.761142979916 14.003074004430
6429 C -0.401474427098 1.662429154986 0.509457621015 12.000000000000
6430 C -2.326836415585 -0.917155071994 -2.401926454598 12.000000000000
6431 C -1.731544506181 0.093220901306 -1.444758722167 12.000000000000
6432 C 0.137744135983 0.442879486522 0.055382530328 12.000000000000
6433 C 1.452954306018 0.136075401307 0.465542106439 12.000000000000
6434 C 1.607769589110 2.152249853177 1.739792496594 12.000000000000
6435 C -1.000695014571 -1.661538654145 0.013160377714 12.000000000000
6436 C 0.322300934305 2.517166924726 1.344894693617 12.000000000000
6437 C 2.198979242032 0.968028666662 1.298363904300 12.000000000000
6438 C -1.606362815926 -2.714007750232 -0.885924001489 12.000000000000
6439 Cl 2.518588756771 3.209473141512 2.804157513583 34.968852682000
6440 Cl 2.200817910951 -1.346240068510 -0.092063036135 34.968852682000
6441 H -1.420215167048 0.985032205442 -2.008141181389 1.007825032230
6442 H -2.516135441654 0.389001117480 -0.721115861688 1.007825032230
6443 H -3.189009224495 -2.811419433123 -2.244360407141 1.007825032230
6444 H -3.492277760604 -1.823255342864 -0.942392969534 1.007825032230
6445 H -1.416181800995 1.954440096016 0.224217481567 1.007825032230
6446 H -0.128383240059 3.444918612189 1.697283993675 1.007825032230
6447 H 3.210941742845 0.687837146437 1.590633283765 1.007825032230
6448 H -1.742246596497 -1.351090285179 0.774739014830 1.007825032230
6449 H -0.144027438166 -2.107191535779 0.533470319231 1.007825032230
6450 H -1.592413553033 -1.267662558768 -3.140716483482 1.007825032230
6451 H -3.203415835776 -0.499620099127 -2.908687598284 1.007825032230
6452 H -0.890308520797 -3.062850081335 -1.643490740026 1.007825032230
6453 H -1.972735979727 -3.561796768552 -0.295918702343 1.007825032230
6454
6455 Running in c1 symmetry.
6456
6457 Rotational constants: A = 0.03790 B = 0.00911 C = 0.00776 [cm^-1]
6458 Rotational constants: A = 1136.09490 B = 273.07248 C = 232.75375 [MHz]
6459 Nuclear repulsion = 1104.499192351430111
6460
6461 Charge = 1
6462 Multiplicity = 1
6463 Electrons = 120
6464 Nalpha = 60
6465 Nbeta = 60
6466
6467 ==> Algorithm <==
6468
6469 SCF Algorithm Type is DF.
6470 DIIS enabled.
6471 MOM disabled.
6472 Fractional occupation disabled.
6473 Guess Type is SAD.
6474 Energy threshold = 1.00e-08
6475 Density threshold = 1.00e-08
6476 Integral threshold = 1.00e-12
6477
6478 ==> Primary Basis <==
6479
6480 Basis Set: CC-PVTZ
6481 Blend: CC-PVTZ
6482 Number of shells: 222
6483 Number of basis functions: 610
6484 Number of Cartesian functions: 693
6485 Spherical Harmonics?: true
6486 Max angular momentum: 3
6487
6488 => Loading Basis Set <=
6489
6490 Name: (CC-PVTZ AUX)
6491 Role: JKFIT
6492 Keyword: DF_BASIS_SCF
6493 atoms 1-2 entry N line 177 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
6494 atoms 3-12 entry C line 125 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
6495 atoms 13-14 entry Cl line 689 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
6496 atoms 15-27 entry H line 51 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-jkfit.gbs
6497
6498 ==> Integral Setup <==
6499
6500 ==> DiskDFJK: Density-Fitted J/K Matrices <==
6501
6502 J tasked: Yes
6503 K tasked: Yes
6504 wK tasked: No
6505 OpenMP threads: 24
6506 Integrals threads: 24
6507 Memory [MiB]: 53644
6508 Algorithm: Core
6509 Integral Cache: NONE
6510 Schwarz Cutoff: 1E-12
6511 Fitting Condition: 1E-10
6512
6513 => Auxiliary Basis Set <=
6514
6515 Basis Set: (CC-PVTZ AUX)
6516 Blend: CC-PVTZ-JKFIT
6517 Number of shells: 504
6518 Number of basis functions: 1580
6519 Number of Cartesian functions: 1897
6520 Spherical Harmonics?: true
6521 Max angular momentum: 4
6522
6523 Minimum eigenvalue in the overlap matrix is 3.1001152169E-05.
6524 Reciprocal condition number of the overlap matrix is 3.2886811809E-06.
6525 Using symmetric orthogonalization.
6526
6527 ==> Pre-Iterations <==
6528
6529 SCF Guess: Superposition of Atomic Densities via on-the-fly atomic UHF (no occupation information).
6530
6531 -------------------------
6532 Irrep Nso Nmo
6533 -------------------------
6534 A 610 610
6535 -------------------------
6536 Total 610 610
6537 -------------------------
6538
6539 ==> Iterations <==
6540
6541 Total Energy Delta E RMS |[F,P]|
6542
6543 @DF-RHF iter SAD: -1414.88938545489282 -1.41489e+03 0.00000e+00
6544 @DF-RHF iter 1: -1413.82446609582053 1.06492e+00 1.05771e-03 DIIS/ADIIS
6545 @DF-RHF iter 2: -1414.06989801805571 -2.45432e-01 4.32404e-04 DIIS/ADIIS
6546 @DF-RHF iter 3: -1414.10632215640567 -3.64241e-02 1.32039e-04 DIIS/ADIIS
6547 @DF-RHF iter 4: -1414.11139902813397 -5.07687e-03 3.55380e-05 DIIS
6548 @DF-RHF iter 5: -1414.11174282559932 -3.43797e-04 1.34862e-05 DIIS
6549 @DF-RHF iter 6: -1414.11180530845240 -6.24829e-05 5.20251e-06 DIIS
6550 @DF-RHF iter 7: -1414.11181861890350 -1.33105e-05 1.95641e-06 DIIS
6551 @DF-RHF iter 8: -1414.11182188226303 -3.26336e-06 1.10831e-06 DIIS
6552 @DF-RHF iter 9: -1414.11182276180148 -8.79538e-07 4.81332e-07 DIIS
6553 @DF-RHF iter 10: -1414.11182298299263 -2.21191e-07 2.07286e-07 DIIS
6554 @DF-RHF iter 11: -1414.11182302339444 -4.04018e-08 9.64660e-08 DIIS
6555 @DF-RHF iter 12: -1414.11182302910652 -5.71208e-09 2.68337e-08 DIIS
6556 @DF-RHF iter 13: -1414.11182302944553 -3.39014e-10 7.76831e-09 DIIS
6557 Energy and wave function converged.
6558
6559
6560 ==> Post-Iterations <==
6561
6562 Orbital Energies [Eh]
6563 ---------------------
6564
6565 Doubly Occupied:
6566
6567 1A -104.947049 2A -104.926982 3A -15.876699
6568 4A -15.722892 5A -11.466327 6A -11.464030
6569 7A -11.431401 8A -11.425369 9A -11.418863
6570 10A -11.409961 11A -11.408790 12A -11.367577
6571 13A -11.364150 14A -11.359920 15A -10.671837
6572 16A -10.651292 17A -8.138678 18A -8.136785
6573 19A -8.136747 20A -8.118139 21A -8.116135
6574 22A -8.116129 23A -1.513212 24A -1.408405
6575 25A -1.300383 26A -1.250383 27A -1.230738
6576 28A -1.204339 29A -1.157986 30A -1.119176
6577 31A -1.078712 32A -1.062564 33A -1.010067
6578 34A -0.956457 35A -0.939415 36A -0.922006
6579 37A -0.882701 38A -0.834511 39A -0.830792
6580 40A -0.810007 41A -0.800097 42A -0.765267
6581 43A -0.751759 44A -0.742828 45A -0.738186
6582 46A -0.721790 47A -0.698793 48A -0.691586
6583 49A -0.677156 50A -0.671430 51A -0.658951
6584 52A -0.632716 53A -0.628102 54A -0.600234
6585 55A -0.566330 56A -0.560571 57A -0.541326
6586 58A -0.534486 59A -0.454142 60A -0.428492
6587
6588 Virtual:
6589
6590 61A -0.055470 62A -0.019908 63A -0.001523
6591 64A 0.004110 65A 0.008978 66A 0.018341
6592 67A 0.037568 68A 0.045017 69A 0.060784
6593 70A 0.069223 71A 0.073117 72A 0.085753
6594 73A 0.089869 74A 0.096785 75A 0.103901
6595 76A 0.109128 77A 0.124619 78A 0.134614
6596 79A 0.148014 80A 0.156787 81A 0.162208
6597 82A 0.173741 83A 0.200945 84A 0.211947
6598 85A 0.220292 86A 0.225910 87A 0.245513
6599 88A 0.253071 89A 0.265626 90A 0.278579
6600 91A 0.289094 92A 0.295125 93A 0.303117
6601 94A 0.310788 95A 0.324008 96A 0.335881
6602 97A 0.345125 98A 0.346185 99A 0.349582
6603 100A 0.361928 101A 0.363507 102A 0.370601
6604 103A 0.380736 104A 0.392573 105A 0.394402
6605 106A 0.397330 107A 0.408459 108A 0.411094
6606 109A 0.418007 110A 0.422766 111A 0.426949
6607 112A 0.434672 113A 0.434987 114A 0.440993
6608 115A 0.444484 116A 0.451749 117A 0.458635
6609 118A 0.462336 119A 0.464741 120A 0.468927
6610 121A 0.482047 122A 0.482240 123A 0.487116
6611 124A 0.495874 125A 0.496293 126A 0.499717
6612 127A 0.508374 128A 0.517157 129A 0.520575
6613 130A 0.528288 131A 0.529597 132A 0.543455
6614 133A 0.547218 134A 0.555978 135A 0.572591
6615 136A 0.578548 137A 0.589836 138A 0.595777
6616 139A 0.598503 140A 0.601244 141A 0.613159
6617 142A 0.643723 143A 0.656829 144A 0.672773
6618 145A 0.682734 146A 0.697503 147A 0.701802
6619 148A 0.723543 149A 0.732323 150A 0.735342
6620 151A 0.736531 152A 0.751653 153A 0.761615
6621 154A 0.772347 155A 0.787198 156A 0.801958
6622 157A 0.804251 158A 0.812384 159A 0.815736
6623 160A 0.828123 161A 0.843091 162A 0.849254
6624 163A 0.854440 164A 0.858535 165A 0.875706
6625 166A 0.889744 167A 0.896028 168A 0.900363
6626 169A 0.909242 170A 0.914698 171A 0.920575
6627 172A 0.935354 173A 0.948192 174A 0.951645
6628 175A 0.958931 176A 0.963358 177A 0.974984
6629 178A 0.987772 179A 1.003949 180A 1.008786
6630 181A 1.018098 182A 1.030855 183A 1.034532
6631 184A 1.042950 185A 1.060398 186A 1.069928
6632 187A 1.082854 188A 1.089817 189A 1.101578
6633 190A 1.105318 191A 1.126226 192A 1.141955
6634 193A 1.146432 194A 1.154868 195A 1.159083
6635 196A 1.164514 197A 1.172536 198A 1.187450
6636 199A 1.196005 200A 1.205332 201A 1.211547
6637 202A 1.219587 203A 1.222522 204A 1.240343
6638 205A 1.244771 206A 1.254644 207A 1.258666
6639 208A 1.263388 209A 1.284826 210A 1.292351
6640 211A 1.305790 212A 1.317026 213A 1.329091
6641 214A 1.333371 215A 1.341175 216A 1.355494
6642 217A 1.363944 218A 1.376694 219A 1.385973
6643 220A 1.395156 221A 1.411234 222A 1.421187
6644 223A 1.421945 224A 1.424714 225A 1.446630
6645 226A 1.448589 227A 1.454937 228A 1.471710
6646 229A 1.476898 230A 1.482823 231A 1.498386
6647 232A 1.501205 233A 1.508528 234A 1.511742
6648 235A 1.525617 236A 1.548671 237A 1.561308
6649 238A 1.571743 239A 1.589262 240A 1.600049
6650 241A 1.609084 242A 1.618961 243A 1.625415
6651 244A 1.628785 245A 1.647482 246A 1.680673
6652 247A 1.685957 248A 1.713915 249A 1.724622
6653 250A 1.743404 251A 1.756356 252A 1.782093
6654 253A 1.803696 254A 1.813560 255A 1.831012
6655 256A 1.879004 257A 1.917916 258A 1.942048
6656 259A 1.955242 260A 1.978317 261A 1.996171
6657 262A 2.022613 263A 2.023895 264A 2.035544
6658 265A 2.060745 266A 2.116674 267A 2.149953
6659 268A 2.157084 269A 2.165270 270A 2.171063
6660 271A 2.191053 272A 2.197045 273A 2.224632
6661 274A 2.235172 275A 2.240918 276A 2.272970
6662 277A 2.273904 278A 2.283588 279A 2.304934
6663 280A 2.314331 281A 2.332876 282A 2.334186
6664 283A 2.344411 284A 2.351970 285A 2.356682
6665 286A 2.363407 287A 2.369090 288A 2.390326
6666 289A 2.415650 290A 2.417839 291A 2.448850
6667 292A 2.461684 293A 2.467729 294A 2.480867
6668 295A 2.494192 296A 2.495551 297A 2.504564
6669 298A 2.525287 299A 2.527334 300A 2.536072
6670 301A 2.544271 302A 2.560224 303A 2.566407
6671 304A 2.570931 305A 2.588998 306A 2.591464
6672 307A 2.596239 308A 2.602752 309A 2.617800
6673 310A 2.623680 311A 2.645826 312A 2.648728
6674 313A 2.663443 314A 2.672683 315A 2.682131
6675 316A 2.684008 317A 2.701012 318A 2.712315
6676 319A 2.719587 320A 2.724082 321A 2.731518
6677 322A 2.741414 323A 2.747696 324A 2.761306
6678 325A 2.767573 326A 2.786510 327A 2.802989
6679 328A 2.808286 329A 2.822275 330A 2.831762
6680 331A 2.841957 332A 2.863268 333A 2.865619
6681 334A 2.887413 335A 2.898518 336A 2.919669
6682 337A 2.927253 338A 2.942747 339A 2.952766
6683 340A 2.962767 341A 2.964829 342A 2.967861
6684 343A 2.983408 344A 3.001123 345A 3.011293
6685 346A 3.018927 347A 3.034290 348A 3.046679
6686 349A 3.053140 350A 3.066708 351A 3.097798
6687 352A 3.104157 353A 3.110093 354A 3.115730
6688 355A 3.127780 356A 3.132272 357A 3.139924
6689 358A 3.147709 359A 3.167108 360A 3.175791
6690 361A 3.180712 362A 3.187806 363A 3.193056
6691 364A 3.199163 365A 3.206657 366A 3.212425
6692 367A 3.225961 368A 3.232695 369A 3.237263
6693 370A 3.245183 371A 3.254339 372A 3.260980
6694 373A 3.268596 374A 3.275825 375A 3.283254
6695 376A 3.287995 377A 3.295689 378A 3.299466
6696 379A 3.305699 380A 3.308478 381A 3.327056
6697 382A 3.332889 383A 3.342705 384A 3.354711
6698 385A 3.359887 386A 3.370381 387A 3.381979
6699 388A 3.387757 389A 3.399404 390A 3.401661
6700 391A 3.421127 392A 3.422517 393A 3.428668
6701 394A 3.436249 395A 3.447052 396A 3.452763
6702 397A 3.466223 398A 3.471372 399A 3.493394
6703 400A 3.499525 401A 3.507416 402A 3.513103
6704 403A 3.519404 404A 3.527261 405A 3.538198
6705 406A 3.550764 407A 3.567586 408A 3.576623
6706 409A 3.585005 410A 3.596242 411A 3.608186
6707 412A 3.611930 413A 3.630180 414A 3.631725
6708 415A 3.639892 416A 3.652643 417A 3.658139
6709 418A 3.674944 419A 3.681617 420A 3.699989
6710 421A 3.708679 422A 3.727723 423A 3.733654
6711 424A 3.746618 425A 3.748662 426A 3.762902
6712 427A 3.772747 428A 3.776040 429A 3.782507
6713 430A 3.807261 431A 3.822856 432A 3.833140
6714 433A 3.839165 434A 3.841712 435A 3.863314
6715 436A 3.880420 437A 3.889709 438A 3.901249
6716 439A 3.908354 440A 3.914536 441A 3.930935
6717 442A 3.941184 443A 3.954708 444A 3.957878
6718 445A 3.983483 446A 3.986771 447A 4.007970
6719 448A 4.010346 449A 4.020847 450A 4.033949
6720 451A 4.040841 452A 4.045620 453A 4.058074
6721 454A 4.070057 455A 4.073295 456A 4.092706
6722 457A 4.096777 458A 4.111005 459A 4.129276
6723 460A 4.135151 461A 4.141985 462A 4.150870
6724 463A 4.175846 464A 4.182572 465A 4.187684
6725 466A 4.197281 467A 4.200771 468A 4.204794
6726 469A 4.214578 470A 4.217343 471A 4.222310
6727 472A 4.244181 473A 4.252318 474A 4.267829
6728 475A 4.282086 476A 4.286253 477A 4.301880
6729 478A 4.312788 479A 4.320663 480A 4.326124
6730 481A 4.328554 482A 4.341882 483A 4.366979
6731 484A 4.383549 485A 4.391437 486A 4.394187
6732 487A 4.407188 488A 4.429431 489A 4.433505
6733 490A 4.456414 491A 4.461083 492A 4.469487
6734 493A 4.482264 494A 4.501888 495A 4.507331
6735 496A 4.517685 497A 4.524273 498A 4.533138
6736 499A 4.558748 500A 4.568019 501A 4.572164
6737 502A 4.585801 503A 4.595499 504A 4.606625
6738 505A 4.612797 506A 4.620921 507A 4.635639
6739 508A 4.643845 509A 4.657166 510A 4.667729
6740 511A 4.695009 512A 4.709376 513A 4.733281
6741 514A 4.756820 515A 4.788416 516A 4.857595
6742 517A 4.871965 518A 4.887342 519A 4.889819
6743 520A 4.905671 521A 4.914199 522A 4.942405
6744 523A 4.959848 524A 4.966119 525A 4.980121
6745 526A 4.985965 527A 5.009038 528A 5.021170
6746 529A 5.048504 530A 5.059557 531A 5.065964
6747 532A 5.082657 533A 5.103378 534A 5.110627
6748 535A 5.121307 536A 5.135380 537A 5.147505
6749 538A 5.166814 539A 5.200930 540A 5.221462
6750 541A 5.245014 542A 5.277828 543A 5.293818
6751 544A 5.301001 545A 5.323852 546A 5.342411
6752 547A 5.362448 548A 5.397431 549A 5.401512
6753 550A 5.417122 551A 5.423505 552A 5.440348
6754 553A 5.456300 554A 5.473379 555A 5.494347
6755 556A 5.514853 557A 5.545036 558A 5.551979
6756 559A 5.562200 560A 5.586469 561A 5.602479
6757 562A 5.619499 563A 5.623791 564A 5.648988
6758 565A 5.684397 566A 5.711543 567A 5.733314
6759 568A 5.745035 569A 5.767821 570A 5.794035
6760 571A 5.869455 572A 5.898226 573A 5.909973
6761 574A 5.932519 575A 5.954108 576A 5.975070
6762 577A 6.036085 578A 6.056897 579A 6.090715
6763 580A 6.142808 581A 6.145628 582A 6.151388
6764 583A 6.170542 584A 6.205140 585A 6.241932
6765 586A 6.245221 587A 6.261524 588A 6.268548
6766 589A 6.292324 590A 6.304389 591A 6.323434
6767 592A 6.361249 593A 6.425544 594A 6.462288
6768 595A 6.524838 596A 6.552236 597A 6.835888
6769 598A 7.152313 599A 8.500739 600A 11.669864
6770 601A 12.235479 602A 12.900416 603A 13.030709
6771 604A 13.142394 605A 13.270033 606A 13.550783
6772 607A 13.646641 608A 13.763222 609A 13.798123
6773 610A 15.592959
6774
6775 Final Occupation by Irrep:
6776 A
6777 DOCC [ 60 ]
6778 NA [ 60 ]
6779 NB [ 60 ]
6780
6781 @DF-RHF Final Energy: -1414.11182302944553
6782
6783 => Energetics <=
6784
6785 Nuclear Repulsion Energy = 1104.4991923514301106
6786 One-Electron Energy = -4121.1183477180702539
6787 Two-Electron Energy = 1602.5073323371948391
6788 Total Energy = -1414.1118230294455316
6789
6790Computation Completed
6791
6792
6793Properties will be evaluated at 0.000000, 0.000000, 0.000000 [a0]
6794
6795Properties computed using the SCF density matrix
6796
6797
6798 Multipole Moments:
6799
6800 ------------------------------------------------------------------------------------
6801 Multipole Electronic (a.u.) Nuclear (a.u.) Total (a.u.)
6802 ------------------------------------------------------------------------------------
6803
6804 L = 1. Multiply by 2.5417464519 to convert [e a0] to [Debye]
6805 Dipole X : -62.1938990 57.3030300 -4.8908690
6806 Dipole Y : -41.8554455 38.9061404 -2.9493051
6807 Dipole Z : -48.8362393 46.3381906 -2.4980487
6808 Magnitude : 6.2337186
6809
6810 ------------------------------------------------------------------------------------
6811
6812*** tstop() called on ac0111 at Sat Oct 11 12:36:27 2025
6813Module time:
6814 user time = 244.30 seconds = 4.07 minutes
6815 system time = 11.95 seconds = 0.20 minutes
6816 total time = 13 seconds = 0.22 minutes
6817Total time:
6818 user time = 144199.10 seconds = 2403.32 minutes
6819 system time = 4060.52 seconds = 67.68 minutes
6820 total time = 10063 seconds = 167.72 minutes
6821
6822 => Loading Basis Set <=
6823
6824 Name: (CC-PVTZ AUX)
6825 Role: RIFIT
6826 Keyword: DF_BASIS_SAPT
6827 atoms 1-28, 127-128 entry N line 257 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-ri.gbs
6828 atoms 29-70, 129-138 entry C line 209 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-ri.gbs
6829 atoms 71-84 entry O line 305 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-ri.gbs
6830 atoms 85-126, 141-153 entry H line 19 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-ri.gbs
6831 atoms 139-140 entry Cl line 845 file /net/software/testing/software/psi4/1.8.1/share/psi4/basis/cc-pvtz-ri.gbs
6832
6833
6834 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
6835 // SAPT Charge Transfer //
6836 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
6837
6838
6839 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
6840 // Dimer Basis SAPT //
6841 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
6842
6843
6844*** tstart() called on ac0111
6845*** at Sat Oct 11 12:36:28 2025
6846
6847 SAPT0
6848 Ed Hohenstein
6849 6 June 2009
6850
6851 Orbital Information
6852 --------------------------
6853 NSO = 3718
6854 NMO = 3718
6855 NRI = 9670
6856 NOCC A = 301
6857 NOCC B = 60
6858 FOCC A = 0
6859 FOCC B = 0
6860 NVIR A = 3417
6861 NVIR B = 3658
6862
6863 Elst10,r = -0.120372593661 [Eh]
6864 Exch10 = 0.061912738701 [Eh]
6865 Exch10 (S^2) = 0.061841202849 [Eh]
6866
6867 Iter Energy [mEh] dE [mEh] Residual Time [s]
6868 1 -25.25088701 25.250887009 60.213832420 371
6869 2 -22.49088776 -2.759999246 12.283743823 708
6870 3 -24.08275369 1.591865923 5.643749795 1045
6871 4 -24.43237058 0.349616899 1.724625107 1368
6872 5 -24.40052106 -0.031849527 0.937017270 1694
6873 6 -24.35435347 -0.046167588 0.306911624 2031
6874 7 -24.35537085 0.001017379 0.106721633 2350
6875 8 -24.36016590 0.004795052 0.037710444 2675
6876 9 -24.36065831 0.000492412 0.010860058 2995
6877 10 -24.36035643 -0.000301885 0.004480367 3325
6878 11 -24.36025765 -0.000098783 0.001397869 3643
6879 12 -24.36028207 0.000024423 0.000525597 3984
6880 13 -24.36029377 0.000011698 0.000217494 4332
6881 14 -24.36029183 -0.000001933 0.000100481 4653
6882 15 -24.36028985 -0.000001981 0.000037554 4978
6883 16 -24.36028984 -0.000000016 0.000012976 5334
6884 17 -24.36029011 0.000000277 0.000004895 5657
6885 18 -24.36029012 0.000000001 0.000001888 6000
6886 19 -24.36029009 -0.000000022 0.000000742 6341
6887
6888 CHF Iterations converged
6889
6890
6891 Iter Energy [mEh] dE [mEh] Residual Time [s]
6892 1 -16.24234498 16.242344980 26.583789371 252
6893 2 -17.80784324 1.565498257 12.432423777 514
6894 3 -19.75870533 1.950862095 3.625579923 762
6895 4 -19.74659527 -0.012110064 2.385067568 1002
6896 5 -19.63157675 -0.115018514 1.065722125 1257
6897 6 -19.63997616 0.008399406 0.461961098 1501
6898 7 -19.65908016 0.019103995 0.166671550 1745
6899 8 -19.65999211 0.000911955 0.053257973 2004
6900 9 -19.65794076 -0.002051348 0.016664463 2248
6901 10 -19.65789581 -0.000044958 0.005893444 2492
6902 11 -19.65804485 0.000149048 0.001931674 2745
6903 12 -19.65806280 0.000017947 0.000612462 3003
6904 13 -19.65805021 -0.000012591 0.000315896 3263
6905 14 -19.65804706 -0.000003154 0.000128524 3534
6906 15 -19.65805010 0.000003046 0.000047820 3779
6907 16 -19.65805011 0.000000005 0.000018204 4039
6908 17 -19.65804979 -0.000000318 0.000005868 4283
6909 18 -19.65804978 -0.000000010 0.000002043 4529
6910 19 -19.65804981 0.000000028 0.000000741 4778
6911
6912 CHF Iterations converged
6913
6914 Ind20,r (A<-B) = -0.024360290094 [Eh]
6915 Ind20,r (B<-A) = -0.019658049807 [Eh]
6916 Ind20,r = -0.044018339900 [Eh]
6917 Exch-Ind20,r (A<-B) = 0.008047450624 [Eh]
6918 Exch-Ind20,r (B<-A) = 0.013467253777 [Eh]
6919 Exch-Ind20,r = 0.021514704401 [Eh]
6920 Disp20 = -0.091481791405 [Eh]
6921 Disp20 (SS) = -0.045740895702 [Eh]
6922 Disp20 (OS) = -0.045740895702 [Eh]
6923 Exch-Disp20 = 0.006950571173 [Eh]
6924 Exch-Disp20 (SS) = 0.004174142169 [Eh]
6925 Exch-Disp20 (OS) = 0.002776429003 [Eh]
6926
6927 SAPT Results
6928 --------------------------------------------------------------------------------------------------------
6929 Electrostatics -120.37259366 [mEh] -75.53494291 [kcal/mol] -316.03820112 [kJ/mol]
6930 Elst10,r -120.37259366 [mEh] -75.53494291 [kcal/mol] -316.03820112 [kJ/mol]
6931
6932 Exchange 61.91273870 [mEh] 38.85083008 [kcal/mol] 162.55187306 [kJ/mol]
6933 Exch10 61.91273870 [mEh] 38.85083008 [kcal/mol] 162.55187306 [kJ/mol]
6934 Exch10(S^2) 61.84120285 [mEh] 38.80594066 [kcal/mol] 162.36405571 [kJ/mol]
6935
6936 Induction -27.55057516 [mEh] -17.28824692 [kcal/mol] -72.33402511 [kJ/mol]
6937 Ind20,r -44.01833990 [mEh] -27.62192531 [kcal/mol] -115.57013549 [kJ/mol]
6938 Exch-Ind20,r 21.51470440 [mEh] 13.50068084 [kcal/mol] 56.48684862 [kJ/mol]
6939 delta HF,r (2) -5.04693966 [mEh] -3.16700245 [kcal/mol] -13.25073824 [kJ/mol]
6940
6941 Dispersion -84.53122023 [mEh] -53.04414153 [kcal/mol] -221.93668814 [kJ/mol]
6942 Disp20 -91.48179140 [mEh] -57.40569078 [kcal/mol] -240.18541024 [kJ/mol]
6943 Exch-Disp20 6.95057117 [mEh] 4.36154926 [kcal/mol] 18.24872210 [kJ/mol]
6944 Disp20 (SS) -45.74089570 [mEh] -28.70284539 [kcal/mol] -120.09270512 [kJ/mol]
6945 Disp20 (OS) -45.74089570 [mEh] -28.70284539 [kcal/mol] -120.09270512 [kJ/mol]
6946 Exch-Disp20 (SS) 4.17414217 [mEh] 2.61931376 [kcal/mol] 10.95920876 [kJ/mol]
6947 Exch-Disp20 (OS) 2.77642900 [mEh] 1.74223550 [kcal/mol] 7.28951334 [kJ/mol]
6948
6949 Total HF -86.01043012 [mEh] -53.97235974 [kcal/mol] -225.82035316 [kJ/mol]
6950 Total SAPT0 -170.54165035 [mEh] -107.01650127 [kcal/mol] -447.75704130 [kJ/mol]
6951
6952 Special recipe for scaled SAPT0 (see Manual):
6953 Electrostatics sSAPT0 -120.37259366 [mEh] -75.53494291 [kcal/mol] -316.03820112 [kJ/mol]
6954 Exchange sSAPT0 61.91273870 [mEh] 38.85083008 [kcal/mol] 162.55187306 [kJ/mol]
6955 Induction sSAPT0 -27.47582627 [mEh] -17.24134128 [kcal/mol] -72.13777192 [kJ/mol]
6956 Dispersion sSAPT0 -84.50707175 [mEh] -53.02898812 [kcal/mol] -221.87328631 [kJ/mol]
6957 Total sSAPT0 -170.44275298 [mEh] -106.95444223 [kcal/mol] -447.49738629 [kJ/mol]
6958 --------------------------------------------------------------------------------------------------------
6959
6960*** tstop() called on ac0111 at Sun Oct 12 04:18:05 2025
6961Module time:
6962 user time = 546684.74 seconds = 9111.41 minutes
6963 system time = 29245.09 seconds = 487.42 minutes
6964 total time = 56497 seconds = 941.62 minutes
6965Total time:
6966 user time = 690888.35 seconds = 11514.81 minutes
6967 system time = 33305.71 seconds = 555.10 minutes
6968 total time = 66561 seconds = 1109.35 minutes
6969
6970 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
6971 // Monomer Basis SAPT //
6972 //<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
6973
6974
6975*** tstart() called on ac0111
6976*** at Sun Oct 12 04:18:05 2025
6977
6978 SAPT0
6979 Ed Hohenstein
6980 6 June 2009
6981
6982 Orbital Information
6983 --------------------------
6984 NSO = 3718
6985 NSO A = 3108
6986 NSO B = 610
6987 NMO = 3718
6988 NMO A = 3108
6989 NMO B = 610
6990 NRI = 9670
6991 NOCC A = 301
6992 NOCC B = 60
6993 FOCC A = 0
6994 FOCC B = 0
6995 NVIR A = 2807
6996 NVIR B = 550
6997
6998 Elst10,r = -0.114604159973 [Eh]
6999 Exch10 = 0.046786319368 [Eh]
7000 Exch10 (S^2) = 0.046728039620 [Eh]
7001
7002 Iter Energy [mEh] dE [mEh] Residual Time [s]
7003 1 -18.42823665 18.428236650 59.101346583 258
7004 2 -15.06892795 -3.359308700 10.262972516 495
7005 3 -15.75061796 0.681690009 5.356737026 726
7006 4 -16.06141816 0.310800204 1.697413982 963
7007 5 -16.06548377 0.004065609 0.857873190 1194
7008 6 -16.02947319 -0.036010578 0.303491660 1424
7009 7 -16.02685644 -0.002616748 0.085579042 1690
7010 8 -16.02981176 0.002955314 0.033704435 1922
7011 9 -16.03044612 0.000634358 0.009416041 2153
7012 10 -16.03031465 -0.000131469 0.004124430 2383
7013 11 -16.03022681 -0.000087841 0.001234330 2611
7014 12 -16.03023055 0.000003743 0.000477005 2859
7015 13 -16.03023969 0.000009143 0.000211168 3098
7016 14 -16.03023953 -0.000000160 0.000081449 3328
7017 15 -16.03023827 -0.000001260 0.000034195 3558
7018 16 -16.03023809 -0.000000183 0.000011974 3798
7019 17 -16.03023825 0.000000163 0.000004679 4050
7020 18 -16.03023828 0.000000023 0.000001787 4293
7021 19 -16.03023826 -0.000000011 0.000000668 4537
7022
7023 CHF Iterations converged
7024
7025
7026 Iter Energy [mEh] dE [mEh] Residual Time [s]
7027 1 -5.61641271 5.616412714 23.272481554 8
7028 2 -5.76475532 0.148342603 9.338780190 16
7029 3 -6.78618064 1.021425325 3.466348154 24
7030 4 -6.85461406 0.068433418 2.053378490 32
7031 5 -6.79336451 -0.061249552 1.013440932 40
7032 6 -6.78226755 -0.011096957 0.358294581 48
7033 7 -6.79059836 0.008330809 0.146077340 56
7034 8 -6.79293234 0.002333979 0.040220992 63
7035 9 -6.79244731 -0.000485027 0.014970142 71
7036 10 -6.79228207 -0.000165239 0.004435296 79
7037 11 -6.79229830 0.000016233 0.001558808 86
7038 12 -6.79231888 0.000020574 0.000493760 94
7039 13 -6.79231788 -0.000001002 0.000224471 101
7040 14 -6.79231513 -0.000002744 0.000095304 109
7041 15 -6.79231555 0.000000419 0.000037337 117
7042 16 -6.79231586 0.000000305 0.000014158 125
7043 17 -6.79231582 -0.000000039 0.000004726 132
7044 18 -6.79231578 -0.000000033 0.000001675 140
7045 19 -6.79231578 0.000000001 0.000000567 147
7046
7047 CHF Iterations converged
7048
7049 Ind20,r (A<-B) = -0.016030238264 [Eh]
7050 Ind20,r (B<-A) = -0.006792315784 [Eh]
7051 Ind20,r = -0.022822554049 [Eh]
7052 Exch-Ind20,r (A<-B) = 0.000678657155 [Eh]
7053 Exch-Ind20,r (B<-A) = 0.001270449932 [Eh]
7054 Exch-Ind20,r = 0.001949107087 [Eh]
7055 Disp20 = -0.079048381578 [Eh]
7056 Disp20 (SS) = -0.039524190789 [Eh]
7057 Disp20 (OS) = -0.039524190789 [Eh]
7058 Exch-Disp20 = 0.002265377705 [Eh]
7059 Exch-Disp20 (SS) = 0.001225158232 [Eh]
7060 Exch-Disp20 (OS) = 0.001040219473 [Eh]
7061
7062 SAPT Results
7063 --------------------------------------------------------------------------------------------------------
7064 Electrostatics -114.60415997 [mEh] -71.91519612 [kcal/mol] -300.89318056 [kJ/mol]
7065 Elst10,r -114.60415997 [mEh] -71.91519612 [kcal/mol] -300.89318056 [kJ/mol]
7066
7067 Exchange 46.78631937 [mEh] 29.35885865 [kcal/mol] 122.83746458 [kJ/mol]
7068 Exch10 46.78631937 [mEh] 29.35885865 [kcal/mol] 122.83746458 [kJ/mol]
7069 Exch10(S^2) 46.72803962 [mEh] 29.32228755 [kcal/mol] 122.68445112 [kJ/mol]
7070
7071 Induction -24.74023822 [mEh] -15.52473387 [kcal/mol] -64.95548650 [kJ/mol]
7072 Ind20,r -22.82255405 [mEh] -14.32136888 [kcal/mol] -59.92060740 [kJ/mol]
7073 Exch-Ind20,r 1.94910709 [mEh] 1.22308316 [kcal/mol] 5.11737995 [kJ/mol]
7074 delta HF,r (2) -3.86679126 [mEh] -2.42644815 [kcal/mol] -10.15225905 [kJ/mol]
7075
7076 Dispersion -76.78300387 [mEh] -48.18206236 [kcal/mol] -201.59374889 [kJ/mol]
7077 Disp20 -79.04838158 [mEh] -49.60360833 [kcal/mol] -207.54149724 [kJ/mol]
7078 Exch-Disp20 2.26537771 [mEh] 1.42154597 [kcal/mol] 5.94774835 [kJ/mol]
7079 Disp20 (SS) -39.52419079 [mEh] -24.80180416 [kcal/mol] -103.77074862 [kJ/mol]
7080 Disp20 (OS) -39.52419079 [mEh] -24.80180416 [kcal/mol] -103.77074862 [kJ/mol]
7081 Exch-Disp20 (SS) 1.22515823 [mEh] 0.76879840 [kcal/mol] 3.21665249 [kJ/mol]
7082 Exch-Disp20 (OS) 1.04021947 [mEh] 0.65274757 [kcal/mol] 2.73109585 [kJ/mol]
7083
7084 Total HF -92.55807883 [mEh] -58.08107134 [kcal/mol] -243.01120248 [kJ/mol]
7085 Total SAPT0 -169.34108270 [mEh] -106.26313369 [kcal/mol] -444.60495137 [kJ/mol]
7086
7087 Special recipe for scaled SAPT0 (see Manual):
7088 Electrostatics sSAPT0 -114.60415997 [mEh] -71.91519612 [kcal/mol] -300.89318056 [kJ/mol]
7089 Exchange sSAPT0 46.78631937 [mEh] 29.35885865 [kcal/mol] 122.83746458 [kJ/mol]
7090 Induction sSAPT0 -24.73293628 [mEh] -15.52015183 [kcal/mol] -64.93631525 [kJ/mol]
7091 Dispersion sSAPT0 -76.77451708 [mEh] -48.17673681 [kcal/mol] -201.57146683 [kJ/mol]
7092 Total sSAPT0 -169.32529396 [mEh] -106.25322611 [kcal/mol] -444.56349805 [kJ/mol]
7093 --------------------------------------------------------------------------------------------------------
7094
7095*** tstop() called on ac0111 at Sun Oct 12 08:27:53 2025
7096Module time:
7097 user time = 195723.34 seconds = 3262.06 minutes
7098 system time = 6268.62 seconds = 104.48 minutes
7099 total time = 14988 seconds = 249.80 minutes
7100Total time:
7101 user time = 886611.69 seconds = 14776.86 minutes
7102 system time = 39574.33 seconds = 659.57 minutes
7103 total time = 81549 seconds = 1359.15 minutes
7104
7105
7106 SAPT Charge Transfer Analysis
7107 ------------------------------------------------------------------------------------------------
7108 SAPT Induction (Dimer Basis) -22.5036 [mEh] -14.1212 [kcal/mol] -59.0833 [kJ/mol]
7109 SAPT Induction (Monomer Basis) -20.8734 [mEh] -13.0983 [kcal/mol] -54.8032 [kJ/mol]
7110 SAPT Charge Transfer -1.6302 [mEh] -1.0230 [kcal/mol] -4.2801 [kJ/mol]
7111
7112
7113 Psi4 stopped on: Sunday, 12 October 2025 08:27AM
7114 Psi4 wall time for execution: 22:39:08.91
7115
7116*** Psi4 exiting successfully. Buy a developer a beer!