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

10 lines
100 B
Plaintext

#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
G2
0,1
Na
Cl,1,NaCl
NaCl=2.3607642