13 lines
137 B
Plaintext
13 lines
137 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
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G2
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0,2
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P
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X,1,1.
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H,1,R,2,A
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H,1,R,2,A,3,180.,0
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R=1.42692167
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A=45.79311753
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