24 lines
311 B
Plaintext
24 lines
311 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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C
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S,1,CS
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H,2,SH,1,CSH
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H,1,CHA,2,HACS,3,180.,0
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X,1,1.,2,XCS,3,0.,0
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H,1,CHB,5,HALF,2,90.,0
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H,1,CHB,5,HALF,2,-90.,0
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CS=1.82939003
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SH=1.34584251
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CHA=1.09139903
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CHB=1.09069821
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CSH=97.1035912
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HACS=106.02325623
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XCS=129.48465195
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HALF=55.21415843
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