srDFT_G2/Ref/Molecules/g09/C2H2.xyz

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2019-03-25 22:30:19 +01:00
0,1
C
C,1,CC
X,2,1.,1,90.
H,2,CH,3,90.,1,180.,0
X,1,1.,2,90.,3,180.,0
H,1,CH,5,90.,2,180.,0
CC=1.1989086
CH=1.06216907