srDFT_G2/Ref/Molecules/g09/HCN.inp
2019-03-25 22:30:19 +01:00

13 lines
102 B
Plaintext

#p CCSD(T) cc-pVDZ
G2
0,1
C
N,1,AB
X,1,1.,2,90.
H,1,AH,3,90.,2,180.,0
AB=1.15174191
AH=1.06658792