20 lines
247 B
Plaintext
20 lines
247 B
Plaintext
%nproc=24
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%mem=100GB
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#p ROCCSD(T) cc-pV5Z 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,AA
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H,1,AH,2,HAA
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H,1,AH,2,HAA,3,120.,0
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H,1,AH,2,HAA,3,-120.,0
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H,2,AH,1,HAA,3,180.,0
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H,2,AH,1,HAA,6,120.,0
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H,2,AH,1,HAA,6,-120.,0
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AA=1.53003633
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AH=1.09484731
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HAA=111.3741399
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