srDFT_G2/G09/Small_core/Molecules/vdz/N2.inp

10 lines
94 B
Plaintext
Raw Normal View History

2019-03-28 00:25:00 +01:00
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVDZ pop=full gfprint
G2
0,1
N
N,1,NN
NN=1.0987918