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	hartrees
Energy at 0K	-834.482017
Energy at 298.15K	-834.481674
HF Energy	-834.482017
Nuclear repulsion energy	109.457357

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	697	697	0.00	29.33	0.15	0.26
2	Σ_u	1579	1579	922.02	0.00	0.00	0.00
3	Π_u	423	423	3.40	0.00	0.00	0.00
3	Π_u	423	423	3.40	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	1.547
S3	0.000	0.000	-1.547

	C1	S2	S3
C1		1.5471	1.5471
S2	1.5471		3.0941
S3	1.5471	3.0941

Number	Element	Mulliken
1	C	0.313
2	S	-0.156
3	S	-0.156

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

using model chemistry: M06-2X/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>	95.624
(<r²>)^1/2	9.779

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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