srDFT_GW/Data/GW20_G0W0HF_cc-pV5Z.dat

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2019-10-01 22:09:37 +02:00
He -24.715162 -1.006627728972694E-003 -9.140149680484061E-004
Ne -21.732717 -3.789330152632635E-003 -3.755030949392481E-003
H2 -16.583592 -4.994401747997802E-004 -4.446330409809738E-004
Li2 -5.417577 -4.282357673025364E-004 -4.020457317566341E-004
LiH -8.284500 -6.334570440779126E-004 -5.635776618270657E-004
FH -16.524584 -3.251282201528139E-003 -3.097857003119715E-003
2019-10-02 15:18:29 +02:00
Ar -16.080616 -3.627269769564496E-003 -3.261325977369934E-003
2019-10-01 22:09:37 +02:00
H2O -13.135081 -2.644330577896112E-003 -2.430979123506820E-003
LiF -11.700549 -3.237356478484233E-003 -3.043680100394664E-003
2019-10-02 17:33:02 +02:00
HCl -13.048724 -2.918818049370771E-003 -2.536120899514660E-003
2019-10-01 22:09:37 +02:00
BeO -10.085947 -2.458103469852306E-003 -2.224428604086278E-003
CO -15.239827 -1.911557188748584E-003 -1.702672270976858E-003
N2 -16.563183 -2.223623539875484E-003 -1.980076438126132E-003
2019-10-02 15:18:29 +02:00
CH4 -14.902430 -1.091568727086541E-003 -9.641346000685453E-004
2019-10-01 22:09:37 +02:00
BH3 -13.779121 -8.330770496683798E-004 -7.267475770543618E-004
NH3 -11.396011 -1.860167375895553E-003 -1.653927783326661E-003
BF -11.422512 -9.945084508650574E-004 -8.492166504804784E-004
BN -11.923517 -1.899936461295605E-003 -1.654296711948463E-003
2019-10-02 17:33:02 +02:00
SH2 -10.723816 -2.215741779307986E-003 -1.871790888978447E-003
2019-10-01 22:09:37 +02:00
F2 -16.614991 -3.556199168360915E-003 -3.425858544456613E-003