16 lines
210 B
Plaintext
16 lines
210 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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C
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C,1,RCC
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H,1,RCH,2,HCC
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H,1,RCH,2,HCC,3,180.,0
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H,2,RCH,1,HCC,3,0.,0
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H,2,RCH,1,HCC,3,180.,0
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RCC=1.32718886
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RCH=1.08577456
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HCC=121.95017938
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