14 lines
177 B
Plaintext
14 lines
177 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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N
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X,1,1.
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H,1,RNH,2,XNH
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H,1,RNH,2,XNH,3,120.,0
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H,1,RNH,2,XNH,3,240.,0
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RNH=1.01719433
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XNH=113.26166981
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