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	hartrees
Energy at 0K	-829.334328
Energy at 298.15K	-829.333904
HF Energy	-828.985331
Nuclear repulsion energy	108.277697

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	677	644	0.00	47.85	0.32	0.49
2	Σ_u	1630	1551	483.13	0.00	0.00	0.00
3	Π_u	389	370	2.93	0.00	0.00	0.00
3	Π_u	389	370	2.93	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	1.564
S3	0.000	0.000	-1.564

	C1	S2	S3
C1		1.5639	1.5639
S2	1.5639		3.1278
S3	1.5639	3.1278

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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