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

10 lines
104 B
Plaintext
Raw Normal View History

2019-04-05 20:48:30 +02:00
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVDZ pop=full gfprint
G2
0,1
Na
Cl,1,NaCl
NaCl=2.3607642