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	hartrees
Energy at 0K	-834.094745
Energy at 298.15K	-834.094263
HF Energy	-834.094745
Nuclear repulsion energy	106.250763

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	633	606	0.00	23.70	0.30	0.46
2	Σ_u	1526	1460	519.49	0.00	0.00	0.00
3	Π_u	372	356	1.45	0.00	0.00	0.00
3	Π_u	372	356	1.45	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	1.594
S3	0.000	0.000	-1.594

	C1	S2	S3
C1		1.5937	1.5937
S2	1.5937		3.1875
S3	1.5937	3.1875

Number	Element	Mulliken
1	C	-0.426
2	S	0.213
3	S	0.213

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

using model chemistry: HSEh1PBE/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>	100.868
(<r²>)^1/2	10.043

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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