seniority/H4_cc-pvdz/pes_rhf.dat
2022-01-28 20:46:59 +01:00

74 lines
1.4 KiB
Plaintext

1.0 -1.82127908114
1.1 -1.95559760235
1.2 -2.04617091811
1.3 -2.10604222665
1.35 -2.12732961067
1.4 -2.14399500159
1.45 -2.15672054392
1.5 -2.16608006562
1.55 -2.17255904488
1.6 -2.17657022434
1.65 -2.17846591800
1.7 -2.17854783580
1.75 -2.17707504074
1.8 -2.17427048011
1.85 -2.17032640257
1.9 -2.16540888396
2.0 -2.15320916233
2.1 -2.13860669107
2.2 -2.12230731340
2.3 -2.10484604128
2.4 -2.08663009361
2.5 -2.06797080107
2.6 -2.04910732897
2.7 -2.03022420673
2.8 -2.01146413735
2.9 -1.99293728821
3.0 -1.97472806720
3.1 -1.95690018046
3.2 -1.93950054910
3.3 -1.92256246285
3.4 -1.90610819702
3.5 -1.89015121972
3.6 -1.87469805902
3.7 -1.85974987058
3.8 -1.84530373419
3.9 -1.83135370457
4.0 -1.81789164340
4.1 -1.80490786172
4.2 -1.79239160327
4.3 -1.78033139885
4.4 -1.76871532011
4.5 -1.75753115793
4.6 -1.74676654707
4.7 -1.73640905446
4.8 -1.72644624464
4.9 -1.71686573183
5.0 -1.70765522491
5.1 -1.69880256844
5.2 -1.69029578099
5.3 -1.68212309053
5.4 -1.67427296604
5.5 -1.66673414394
5.6 -1.65949564860
5.7 -1.65254680633
5.8 -1.64587725275
5.9 -1.63947693403
6.0 -1.63333610292
6.1 -1.62744531038
6.2 -1.62179539433
6.3 -1.61637746636
6.4 -1.61118289772
6.5 -1.60620330534
6.6 -1.60143053859
6.7 -1.59685666742
6.8 -1.59247397198
6.9 -1.58827493415
7.0 -1.58425223071
7.5 -1.56654054782
8.0 -1.55224563632
8.5 -1.54066059103
9.0 -1.53119482282
9.5 -1.52336961238
10.0 -1.51680698159