srDFT_G2/G09/Mixed_core/Molecules/vdz/CO2.inp
2019-04-01 12:09:35 +02:00

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103 B
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#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,1
C
O,1,R
X,1,1.,2,90.
O,1,R,3,90.,2,180.,0
R=1.16287946