srDFT_G2/Ref/Molecules/g09/VTZ/C2H4.inp
2019-03-26 11:00:25 +01:00

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186 B
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#p ROCCSD(T) cc-pVTZ pop=full gfprint
G2
0,1
C
C,1,RCC
H,1,RCH,2,HCC
H,1,RCH,2,HCC,3,180.,0
H,2,RCH,1,HCC,3,0.,0
H,2,RCH,1,HCC,3,180.,0
RCC=1.32718886
RCH=1.08577456
HCC=121.95017938