srDFT_G2/G09/Small_core/Molecules/vtz/Li2.inp
2019-03-28 00:25:00 +01:00

10 lines
95 B
Plaintext

#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVTZ pop=full gfprint
G2
0,1
Li
Li,1,R
R=2.72127987