22 lines
290 B
Plaintext
22 lines
290 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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N
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N,1,AA
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H,1,AH4,2,H4AA
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H,1,AH5,2,H5AA,3,H4AH5,1
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H,2,AH4,1,H4AA,3,H4AAH7,0
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H,2,AH5,1,H5AA,5,H4AH5,1
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AA=1.43687706
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AH4=1.01893091
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AH5=1.01495037
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H4AA=111.61361711
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H5AA=106.79854321
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H4AH5=106.64730213
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H4AAH7=27.6651151
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