srDFT_GW/Data/GW20_HF.dat

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2019-10-09 15:03:12 +02:00
He -24.875232 -24.969849 -24.975936 -24.977849
Ne -22.642519 -23.004927 -23.101349 -23.137013
H2 -16.108487 -16.170252 -16.175638 -16.176321
Li2 -4.908093 -4.944398 -4.950660 -4.951012
LiH -8.176505 -8.199614 -8.208752 -8.210946
FH -17.113217 -17.503471 -17.629239 -17.685456
Ar -16.001268 -16.058435 -16.078000 -16.080616
H2O -13.418826 -13.726992 -13.826843 -13.877630
LiF -12.637075 -12.892094 -12.935669 -12.952391
HCl -12.829263 -12.936767 -12.969685 -12.975168
BeO -10.482050 -10.508734 -10.535922 -10.562803
CO -15.220671 -15.340566 -15.376164 -15.388477
N2 -16.548629 -16.653792 -16.687542 -16.701370
CH4 -14.784083 -14.838097 -14.842895 -14.843501
BH3 -13.506828 -13.564544 -13.567553 -13.568001
NH3 -11.404038 -11.599359 -11.659071 -11.689941
BF -10.942821 -10.998420 -11.016733 -11.019900
BN -11.419979 -11.510472 -11.534256 -11.542202
SH2 -10.346702 -10.451184 -10.476043 -10.477999
F2 -18.028684 -18.086849 -18.120602 -18.137192