srDFT_G2/G09/Small_core/Molecules/vqz/Si2.inp

10 lines
95 B
Plaintext
Raw Normal View History

2019-04-01 14:54:35 +02:00
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
G2
0,3
Si
Si,1,R
R=2.27042797