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	hartrees
Energy at 0K	-828.756904
Energy at 298.15K	-828.756553
HF Energy	-828.756904
Nuclear repulsion energy	107.253309

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	653	591	0.00	16.54	0.35	0.51
2	Σ_u	1504	1362	1022.95	0.00	0.00	0.00
3	Π_u	433	392	0.29	0.00	0.00	0.00
3	Π_u	433	392	0.29	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	1.579
S3	0.000	0.000	-1.579

	C1	S2	S3
C1		1.5788	1.5788
S2	1.5788		3.1577
S3	1.5788	3.1577

Number	Element	Mulliken
1	C	-0.723
2	S	0.362
3	S	0.362

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

using model chemistry: HF/3-21G

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>	100.104
(<r²>)^1/2	10.005

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

using model chemistry: HF/3-21G

States and conformations

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