Ec/furan/cc-pvdz/FromDenis.txt
2020-10-26 22:10:18 +01:00

27 lines
1.0 KiB
Plaintext

Cfour
HF -228.643312572484575
MP2 -229.350762946309 -0.707450373824
CCSD -229.378285257894248 -0.734972685409664
CC3 -229.409042621239877 -0.765730048755297
CCSDT -229.407644692870491 -0.764332120385917
CC4 -229.410178829371802 -0.766866256888079
CCSDTQ -229.409966781261375 -0.76665420877679
Dalton
HF -228.643312572485
MP2 -229.3507629658025451 -0.7074503933
CC2 -229.360495928343 -0.7171833559
CCSD -229.3782852538 -0.7349726813
CC3 -229.4090426487 -0.7657300762
MRCC
HF -228.6433125723933699
MP2 -229.350762954683 -0.7074503823
CCSD -229.37828519649 -0.734972624097
CC3 -229.409042619076 -0.7657300467
CCSDT -229.407644699645 -0.7643321273
CC4 -229.410178825868 -0.7668662535
CISD -229.260645347830 -0.6173327754
CISDT -229.27741998 -0.6341074076