22 lines
300 B
Plaintext
22 lines
300 B
Plaintext
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#p ROCCSD(T) 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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O,1,AB
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H,1,AH3,2,H3AB
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H,2,BH9,1,H9BA,3,180.,0
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X,1,1.,2,BAH12,3,180.,0
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H,1,AH1,5,H1AH2,2,90.,0
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H,1,AH1,5,H1AH2,2,-90.,0
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AB=1.41526798
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AH1=1.10037418
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AH3=1.09348232
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BH9=0.96129158
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H1AH2=54.13726394
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BAH12=131.31510075
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H3AB=106.94071399
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H9BA=107.8511363
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