15 lines
163 B
Plaintext
15 lines
163 B
Plaintext
#p ROCCSD(T) cc-pVQZ 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,CC
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X,2,1.,1,90.
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H,2,CH,3,90.,1,180.,0
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X,1,1.,2,90.,3,180.,0
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H,1,CH,5,90.,2,180.,0
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CC=1.1989086
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CH=1.06216907
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