14 lines
168 B
Plaintext
14 lines
168 B
Plaintext
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#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVDZ pop=full gfprint
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G2
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0,1
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O
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C,1,RCO
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H,2,RH,1,THETA
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H,2,RH,1,THETA,3,180.,0
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RCO=1.19995954
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THETA=122.47953272
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RH=1.1108676
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