srDFT_G2/G09/Large_core/Molecules/avtz/HCN.xyz

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2019-04-04 11:10:45 +02:00
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