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