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	hartrees
Energy at 0K	-834.550466
Energy at 298.15K	-834.550047
HF Energy	-834.550466
Nuclear repulsion energy	108.530515

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	675	652	0.00	25.26	0.30	0.46
2	Σ_u	1555	1503	735.62	0.00	0.00	0.00
3	Π_u	392	379	3.21	0.00	0.00	0.00
3	Π_u	392	379	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	1.560
S3	0.000	0.000	-1.560

	C1	S2	S3
C1		1.5603	1.5603
S2	1.5603		3.1205
S3	1.5603	3.1205

Number	Element	Mulliken
1	C	-0.213
2	S	0.106
3	S	0.106

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

using model chemistry: B3LYPultrafine/6-311G*

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>	97.307
(<r²>)^1/2	9.864

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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