10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 12:23:31 +01:00
QCaml/test_files/ao_nuc.ref

185 lines
6.1 KiB
Plaintext

1 1 -62.275538570011626
1 2 12.125766386472707
2 2 -5.343929717466414
1 3 -6.100269746982712
2 3 -2.806625238561235
3 3 -8.073112495140448
4 4 -6.070483981972077
5 5 -6.020376245163298
1 6 0.021047824795628
2 6 0.059542698627091
3 6 0.122128952648285
6 6 -6.050394866778804
4 7 -3.024512985962175
7 7 -5.520724858265616
5 8 -2.957829307189493
8 8 -5.294960875803310
1 9 0.005735454188750
2 9 0.058986375084516
3 9 0.242182169825154
6 9 -2.997778270134004
9 9 -5.430211916771475
1 10 -1.268812623301953
2 10 -3.022019170332814
3 10 -5.664435751167721
6 10 0.083812871378967
9 10 0.127380222267056
10 10 -8.628204685058252
11 11 -8.479382644014068
4 12 0.145168151556606
7 12 0.220629016845957
12 12 -8.638057540209802
1 13 -1.264930391412323
2 13 -2.973934120559030
3 13 -5.534631816432880
6 13 0.048930954133317
9 13 0.060238608721114
10 13 -2.826460881338021
13 13 -8.388581378260625
5 14 0.084750898621728
8 14 0.104336330882231
14 14 -8.442978743068055
1 15 -1.267256164986236
2 15 -3.002740987650844
3 15 -5.612394961391496
6 15 0.167689976133437
9 15 0.220939129390582
10 15 -2.879352513403266
13 15 -2.814326247689351
15 15 -8.518199690267490
1 16 -0.952782331128032
2 16 -0.659697257447191
3 16 -2.133380584676123
4 16 0.781678807320804
6 16 0.621904009887217
7 16 1.683543836881078
9 16 1.335016133706429
10 16 -1.667756769813941
12 16 -0.892129017039093
13 16 -1.002036072838890
15 16 -1.417221214109857
16 16 -2.107649553933351
1 17 -2.125569862292254
2 17 -1.283697589114871
3 17 -4.356847439238844
4 17 0.475989916364254
6 17 0.422920264606057
7 17 1.457001429268338
9 17 1.281208833804038
10 17 -2.714649250270574
12 17 -0.177568399270841
13 17 -2.534034955544656
15 17 -2.657802917740243
16 17 -2.216667723612138
17 17 -4.400950633759910
1 18 -2.722272718137221
2 18 -1.342430040285649
3 18 -3.134245891244376
4 18 1.207502416332363
6 18 1.859803173331492
7 18 0.154338245034725
9 18 1.875416611517870
10 18 -2.122324389752063
12 18 -1.399421827416947
13 18 -2.110282781750609
15 18 -3.412988363382125
16 18 -0.725572895656271
17 18 -1.058526698205781
18 18 -6.039011282703799
5 19 -1.143153779160152
8 19 -2.197963104716381
11 19 1.795742318003083
14 19 1.414000635111198
19 19 -5.201581003294230
1 20 -2.105375144535297
2 20 -1.024185792572825
3 20 -2.373112850525145
4 20 1.813239423354615
6 20 0.279098841704008
7 20 1.795210877899557
9 20 -0.795441044877890
10 20 -3.226105544921671
12 20 -0.373373026048553
13 20 -1.619458317062542
15 20 -0.975233500904051
16 20 -0.526642074592188
17 20 -0.763663320985964
18 20 -0.614080030530267
20 20 -5.676881156330306
1 21 -0.952782331128032
2 21 -0.659697257447191
3 21 -2.133380584676123
4 21 -0.781678807320804
6 21 0.621904009887217
7 21 -1.683543836881078
9 21 1.335016133706429
10 21 -1.667756769813941
12 21 0.892129017039093
13 21 -1.002036072838890
15 21 -1.417221214109857
16 21 -0.314984996351282
17 21 -1.134126995835193
18 21 -0.762024763333394
20 21 -0.126622780128378
21 21 -2.107649553933350
1 22 -2.125569862292254
2 22 -1.283697589114871
3 22 -4.356847439238845
4 22 -0.475989916364254
6 22 0.422920264606057
7 22 -1.457001429268338
9 22 1.281208833804038
10 22 -2.714649250270574
12 22 0.177568399270841
13 22 -2.534034955544656
15 22 -2.657802917740243
16 22 -1.134126995835193
17 22 -3.038370745562461
18 22 -1.548585213033768
20 22 -0.470482164033214
21 22 -2.216667723612139
22 22 -4.400950633759910
1 23 2.722272718137221
2 23 1.342430040285649
3 23 3.134245891244376
4 23 1.207502416332363
6 23 -1.859803173331492
7 23 0.154338245034725
9 23 -1.875416611517870
10 23 2.122324389752063
12 23 -1.399421827416947
13 23 2.110282781750609
15 23 3.412988363382125
16 23 0.762024763333394
17 23 1.548585213033768
18 23 2.123053594706917
20 23 0.327619011507388
21 23 0.725572895656271
22 23 1.058526698205781
23 23 -6.039011282703799
5 24 -1.143153779160152
8 24 -2.197963104716381
11 24 -1.795742318003083
14 24 1.414000635111198
19 24 -0.335614222402832
24 24 -5.201581003294229
1 25 -2.105375144535297
2 25 -1.024185792572825
3 25 -2.373112850525145
4 25 -1.813239423354615
6 25 0.279098841704008
7 25 -1.795210877899557
9 25 -0.795441044877890
10 25 -3.226105544921671
12 25 0.373373026048553
13 25 -1.619458317062542
15 25 -0.975233500904051
16 25 -0.126622780128378
17 25 -0.470482164033214
18 25 -0.327619011507388
20 25 -0.455545660034585
21 25 -0.526642074592188
22 25 -0.763663320985964
23 25 0.614080030530267
25 25 -5.676881156330306