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	hartrees
Energy at 0K	-834.170827
Energy at 298.15K	-834.170445
HF Energy	-834.170827
Nuclear repulsion energy	108.766654

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	689	658	0.00	26.10	0.22	0.35
2	Σ_u	1591	1519	695.28	0.00	0.00	0.00
3	Π_u	407	389	2.37	0.00	0.00	0.00
3	Π_u	407	389	2.37	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	1.557
S3	0.000	0.000	-1.557

	C1	S2	S3
C1		1.5569	1.5569
S2	1.5569		3.1138
S3	1.5569	3.1138

Number	Element	Mulliken
1	C	0.100
2	S	-0.050
3	S	-0.050

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

using model chemistry: HSEh1PBE/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>	96.722
(<r²>)^1/2	9.835

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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