17 lines
189 B
Plaintext
17 lines
189 B
Plaintext
%nproc=24
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%mem=100GB
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#p ROCCSD(T) aug-cc-pVDZ pop=full gfprint
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G2
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0,1
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O
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O,1,AA
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H,1,AH4,2,H4AA
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H,2,AH4,1,H4AA,3,H4AAH8,0
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AA=1.44582784
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AH4=0.9672488
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H4AA=100.44937014
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H4AAH8=112.33679746
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