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	hartrees
Energy at 0K	-833.277168
Energy at 298.15K
HF Energy	-832.883589
Nuclear repulsion energy	108.586064

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
S2	0.000	0.000	1.559
S3	0.000	0.000	-1.559

	C1	S2	S3
C1		1.5595	1.5595
S2	1.5595		3.1189
S3	1.5595	3.1189

All results from a given calculation for CS₂ (Carbon disulfide)

using model chemistry: CCSD/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CS2 (Carbon disulfide)

using model chemistry: CCSD/6-31G**

States and conformations

All results from a given calculation for CS₂ (Carbon disulfide)