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	hartrees
Energy at 0K	-833.437166
Energy at 298.15K
HF Energy	-832.903343
Nuclear repulsion energy	109.623131

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
S2	0.000	0.000	1.545
S3	0.000	0.000	-1.545

	C1	S2	S3
C1		1.5447	1.5447
S2	1.5447		3.0894
S3	1.5447	3.0894

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

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