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	hartrees
Energy at 0K	-834.468422
Energy at 298.15K	-834.467988
HF Energy	-834.468422
Nuclear repulsion energy	107.948259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	658	647	0.00	26.65	0.21	0.35
2	Σ_u	1536	1509	531.88	0.00	0.00	0.00
3	Π_u	388	382	2.90	0.00	0.00	0.00
3	Π_u	388	382	2.90	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
S2	0.000	0.000	1.569
S3	0.000	0.000	-1.569

	C1	S2	S3
C1		1.5687	1.5687
S2	1.5687		3.1374
S3	1.5687	3.1374

Number	Element	Mulliken
1	C	0.032
2	S	-0.016
3	S	-0.016

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

using model chemistry: B97D3/6-31+G**

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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<r²>	97.802
(<r²>)^1/2	9.889

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

using model chemistry: B97D3/6-31+G**

States and conformations

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