srDFT_GW/Data/GW20_G0W0PBE0_cc-pV5Z.dat
2019-10-02 17:33:02 +02:00

21 lines
1.3 KiB
Plaintext

He -24.041273 -9.969469255639333E-004 -9.049299088798651E-004
Ne -21.053210 -3.760573348328795E-003 -3.727604317250359E-003
H2 -16.206853 -4.961599011687267E-004 -4.422418181547167E-004
Li2 -5.305036 -4.884624644081550E-004 -4.680850896011144E-004
LiH -7.594260 -6.451754459242277E-004 -5.821729266742688E-004
FH -15.851289 -3.214455279720408E-003 -3.066160895599462E-003
Ar -15.498432 -3.635281521378305E-003 -3.274159376695460E-003
H2O -12.4712902 -2.608767892325600E-003 -2.401954652196870E-003
LiF -10.9356336 -3.174534102631832E-003 -2.989672659339038E-003
HCl -12.571194 -2.922347178116597E-003 -2.541946652023031E-003
BeO -9.735301 -2.408647381960089E-003 -2.192070800504009E-003
CO -14.179312 -1.901201250406083E-003 -1.693478434481804E-003
N2 -15.495458 -2.324024178529141E-003 -2.109483647000155E-003
CH4 -14.3041246 -1.101360168610347E-003 -9.731790321821564E-004
BH3 -13.2577528 -8.374558370263800E-004 -7.305320528076528E-004
NH3 -10.7473694 -1.843317395551529E-003 -1.640727150061223E-003
BF -10.943281 -1.023589997734656E-003 -8.785932431435573E-004
BN -11.601477 -1.907297096801987E-003 -1.668367193760015E-003
SH2 -10.303107 -2.222579466227525E-003 -1.879443052826443E-003
F2 -15.639854 -3.533559540576337E-003 -3.407120565266995E-003