14 lines
143 B
Plaintext
14 lines
143 B
Plaintext
#p CCSD(T) cc-pVDZ pop=full gfprint
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G2
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0,1
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P
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X,1,1.
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H,1,R,2,BETA
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H,1,R,2,BETA,3,120.,0
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H,1,R,2,BETA,3,-120.,0
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R=1.42205572
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BETA=122.9486097
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