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	hartrees
Energy at 0K	-834.534617
Energy at 298.15K	-834.534200
HF Energy	-834.534617
Nuclear repulsion energy	107.871500

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	673	655	0.00	21.67	0.28	0.44
2	Σ_u	1573	1530	561.53	0.00	0.00	0.00
3	Π_u	390	379	1.49	0.00	0.00	0.00
3	Π_u	390	379	1.49	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	1.570
S3	0.000	0.000	-1.570

	C1	S2	S3
C1		1.5698	1.5698
S2	1.5698		3.1396
S3	1.5698	3.1396

Number	Element	Mulliken
1	C	0.020
2	S	-0.010
3	S	-0.010

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

using model chemistry: TPSSh/cc-pVDZ

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>	97.682
(<r²>)^1/2	9.883

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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