srDFT_GW/Data/GW20_G0W0PBE_cc-pVTZ.dat
2019-10-01 22:09:37 +02:00

21 lines
1.3 KiB
Plaintext

He -15.702813 -4.309777290342032E-003 -4.351322663462775E-003
Ne -12.877100 -1.016454489547450E-002 -1.234819840368401E-002
H2 -15.823657 -2.391002675886579E-003 -2.103084743819662E-003
Li2 -5.007283 -1.317111072022981E-003 -1.035061684492053E-003
LiH -6.524728 -2.340826528216483E-003 -1.890786116708030E-003
FH -15.278663 -9.139782337118993E-003 -1.050741749461620E-002
Ar -15.032545 -9.419318258225891E-003 -9.919977550680525E-003
H2O -11.884681 -7.894233096841915E-003 -8.559002991998453E-003
LiF -9.719770 -8.941989295257724E-003 -1.002737433919951E-002
HCl -12.142153 -8.099589397543495E-003 -8.126367382558758E-003
BeO -9.512409 -7.195491593553735E-003 -7.569198214077671E-003
CO -13.530452 -6.072340921900121E-003 -6.106860406848248E-003
N2 -14.812442 -7.197870122665317E-003 -7.611716748988329E-003
CH4 -13.843561 -4.330580629716401E-003 -4.113569906691521E-003
BH3 -12.808871 -3.515337458452821E-003 -3.167885286203919E-003
NH3 -10.247353 -6.167293945987668E-003 -6.168897096261795E-003
BF -10.575625 -3.651414025516070E-003 -3.291533262152190E-003
BN -10.936471 -6.120670592987753E-003 -6.000277850240377E-003
SH2 -9.931696 -6.662113255639007E-003 -6.319390994602618E-003
F2 -14.876779 -9.805257673023413E-003 -1.150722858713720E-002