13 lines
141 B
Plaintext
13 lines
141 B
Plaintext
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#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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S
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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=1.34531822
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A=46.20925632
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