seniority/H8_cc-pvdz/pes_ooCISD.dat

47 lines
1.2 KiB
Plaintext
Raw Normal View History

2022-02-14 23:00:29 +01:00
1.0 -3.44113112
1.1 -3.80239150
1.2 -4.05154476
1.3 -4.22199178
1.4 -4.33612654
1.5 -4.40952805
1.6 -4.45311807
1.7 -4.47473734
1.75 -4.47918242
1.8 -4.48018362
1.85 -4.47823905
1.9 -4.47377777
1.95 -4.46717197
2.0 -4.45874233
2.05 -4.44876877
2.1 -4.43749215
2.15 -4.42512402
2.2 -4.41184665
2.25 -4.39782001
2.3 -4.38318369
2.4 -4.35255204
2.5 -4.32075353
2.6 -4.28840129
2.7 -4.25596629
2.8 -4.22380910
2.9 -4.19220333
3.0 -4.16135369
3.1 -4.13140881
3.2 -4.10247203
3.3 -4.07460840
3.4 -4.04785322
3.5 -4.02221799
3.6 -3.99769470
3.7 -3.97426297
3.8 -3.95189297
3.9 -3.93054788
4.0 -3.91018839
4.1 -3.89077335
4.2 -3.87226171
4.3 -3.85461230
4.4 -3.83778609
4.5 -3.82174560
4.6 -3.80645426
4.7 -3.79187796
4.8 -3.77798402
4.9 -3.76474094