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

10 lines
95 B
Plaintext

#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVTZ pop=full gfprint
G2
0,3
O
S,1,OS
OS=1.49681906