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	hartrees
Energy at 0K	-834.010977
Energy at 298.15K	-834.010446
HF Energy	-834.010977
Nuclear repulsion energy	105.283463

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	608	600	0.00	24.63	0.30	0.46
2	Σ_u	1485	1464	391.16	0.00	0.00	0.00
3	Π_u	356	351	2.13	0.00	0.00	0.00
3	Π_u	356	351	2.13	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	1.608
S3	0.000	0.000	-1.608

	C1	S2	S3
C1		1.6084	1.6084
S2	1.6084		3.2168
S3	1.6084	3.2168

Number	Element	Mulliken
1	C	-0.411
2	S	0.205
3	S	0.205

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

using model chemistry: PBEPBE/6-31G

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>	102.234
(<r²>)^1/2	10.111

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

using model chemistry: PBEPBE/6-31G

States and conformations

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