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	hartrees
Energy at 0K	-834.557649
Energy at 298.15K	-834.557222
HF Energy	-834.557649
Nuclear repulsion energy	108.536713

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	660	660	0.00	27.18	0.20	0.33
2	Σ_u	1536	1536	539.08	0.00	0.00	0.00
3	Π_u	389	389	3.29	0.00	0.00	0.00
3	Π_u	389	389	3.29	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		1.5602	1.5602
S2	1.5602		3.1204
S3	1.5602	3.1204

Number	Element	Mulliken
1	C	-0.333
2	S	0.167
3	S	0.167

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

using model chemistry: B97D3/cc-pVQZ

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>	96.752
(<r²>)^1/2	9.836

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

using model chemistry: B97D3/cc-pVQZ

States and conformations

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