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	hartrees
Energy at 0K	-830.304548
Energy at 298.15K	-830.304041
HF Energy	-830.304548
Nuclear repulsion energy	105.244217

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	592	589	0.00	21.93	0.35	0.52
2	Σ_u	1451	1443	378.41	0.00	0.00	0.00
3	Π_u	371	369	3.21	0.00	0.00	0.00
3	Π_u	371	369	3.21	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	1.609
S3	0.000	0.000	-1.609

	C1	S2	S3
C1		1.6090	1.6090
S2	1.6090		3.2180
S3	1.6090	3.2180

Number	Element	Mulliken
1	C	-0.688
2	S	0.344
3	S	0.344

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

using model chemistry: BLYP/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>	102.341
(<r²>)^1/2	10.116

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

using model chemistry: BLYP/3-21G

States and conformations

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