srDFT_G2/G09/Molecules/vdz/CH2_3B1.inp

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2019-03-27 11:25:55 +01:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,3
C
H,1,RCH
H,1,RCH,2,HCH
RCH=1.08097342
HCH=133.83742404