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	hartrees
Energy at 0K	-834.545609
Energy at 298.15K	-834.545194
HF Energy	-834.545609
Nuclear repulsion energy	108.615079

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	663	655	0.00	29.54	0.15	0.26
2	Σ_u	1544	1524	543.97	0.00	0.00	0.00
3	Π_u	394	389	3.75	0.00	0.00	0.00
3	Π_u	394	389	3.75	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	1.559
S3	0.000	0.000	-1.559

	C1	S2	S3
C1		1.5591	1.5591
S2	1.5591		3.1181
S3	1.5591	3.1181

Number	Element	Mulliken
1	C	0.437
2	S	-0.219
3	S	-0.219

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

using model chemistry: B97D3/6-311+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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<r²>	96.711
(<r²>)^1/2	9.834

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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