srDFT_G2/G09/N2/N2_vqz.inp

10 lines
70 B
Plaintext
Raw Normal View History

2019-04-01 09:37:36 +02:00
#p ROCCSD(T) cc-pVQZ pop=full gfprint
G2
0,1
N
N,1,NN
NN=1.0987918