srDFT_G2/Ref/Molecules/g09/VTZ/HCN.inp

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2019-03-26 11:00:25 +01:00
#p ROCCSD(T) cc-pVTZ pop=full gfprint
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