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	hartrees
Energy at 0K	-830.483238
Energy at 298.15K	-830.482904
HF Energy	-830.483238
Nuclear repulsion energy	109.184268

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	702	665	0.00	20.37	0.31	0.47
2	Σ_u	1616	1531	826.26	0.00	0.00	0.00
3	Π_u	431	408	1.69	0.00	0.00	0.00
3	Π_u	431	408	1.69	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	1.551
S3	0.000	0.000	-1.551

	C1	S2	S3
C1		1.5509	1.5509
S2	1.5509		3.1019
S3	1.5509	3.1019

Number	Element	Mulliken
1	C	-0.263
2	S	0.132
3	S	0.132

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

using model chemistry: M06-2X/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>	96.153
(<r²>)^1/2	9.806

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

using model chemistry: M06-2X/3-21G*

States and conformations

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