13 lines
148 B
Plaintext
13 lines
148 B
Plaintext
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#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVQZ pop=full gfprint
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G2
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0,1
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C
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N,1,AB
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X,1,1.,2,90.
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H,1,AH,3,90.,2,180.,0
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AB=1.15174191
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AH=1.06658792
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