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	hartrees
Energy at 0K	-833.498589
Energy at 298.15K
HF Energy	-832.958700
Nuclear repulsion energy	108.480516

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
S2	0.000	0.000	1.561
S3	0.000	0.000	-1.561

	C1	S2	S3
C1		1.5609	1.5609
S2	1.5609		3.1217
S3	1.5609	3.1217

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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(T)/6-311+G(3df,2p)

States and conformations

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