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	hartrees
Energy at 0K	-58.292838
Energy at 298.15K	-58.292329
HF Energy	-58.292838
Nuclear repulsion energy	29.746332

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	620	596	0.00	22.13	0.42	0.59
2	Σ_u	1489	1431	481.28	0.00	0.00	0.00
3	Π_u	366	352	4.10	0.00	0.00	0.00
3	Π_u	366	352	4.10	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	1.601
S3	0.000	0.000	-1.601

	C1	S2	S3
C1		1.6011	1.6011
S2	1.6011		3.2021
S3	1.6011	3.2021

Number	Element	Mulliken
1	C	-0.315
2	S	0.157
3	S	0.157

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

using model chemistry: B3LYP/LANL2DZ

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>	49.493
(<r²>)^1/2	7.035

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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