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	hartrees
Energy at 0K	-832.958852
Energy at 298.15K	-832.958579
HF Energy	-832.958852
Nuclear repulsion energy	110.088560

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	724	656	0.00	21.40	0.21	0.35
2	Σ_u	1582	1434	1505.93	0.00	0.00	0.00
3	Π_u	457	414	1.06	0.00	0.00	0.00
3	Π_u	457	414	1.06	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	1.538
S3	0.000	0.000	-1.538

	C1	S2	S3
C1		1.5382	1.5382
S2	1.5382		3.0764
S3	1.5382	3.0764

Number	Element	Mulliken
1	C	0.077
2	S	-0.038
3	S	-0.038

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

using model chemistry: HF/Def2TZVPP

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>	95.066
(<r²>)^1/2	9.750

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

using model chemistry: HF/Def2TZVPP

States and conformations

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