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	hartrees
Energy at 0K	-834.446611
Energy at 298.15K	-834.446242
HF Energy	-834.446611
Nuclear repulsion energy	109.218137

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	687	657	0.00	29.11	0.15	0.26
2	Σ_u	1585	1517	684.34	0.00	0.00	0.00
3	Π_u	411	394	3.53	0.00	0.00	0.00
3	Π_u	411	394	3.53	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	1.550
S3	0.000	0.000	-1.550

	C1	S2	S3
C1		1.5504	1.5504
S2	1.5504		3.1009
S3	1.5504	3.1009

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: B3PW91/6-311+G(3df,2p)

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>	95.834
(<r²>)^1/2	9.789

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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