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	hartrees
Energy at 0K	-834.534732
Energy at 298.15K	-834.534352
HF Energy	-834.534732
Nuclear repulsion energy	108.832064

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	686	655	0.00	24.53	0.28	0.43
2	Σ_u	1585	1512	688.63	0.00	0.00	0.00
3	Π_u	406	387	2.65	0.00	0.00	0.00
3	Π_u	406	387	2.65	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	1.556
S3	0.000	0.000	-1.556

	C1	S2	S3
C1		1.5559	1.5559
S2	1.5559		3.1119
S3	1.5559	3.1119

Number	Element	Mulliken
1	C	0.028
2	S	-0.014
3	S	-0.014

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

using model chemistry: mPW1PW91/TZVP

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>	96.484
(<r²>)^1/2	9.823

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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