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	hartrees
Energy at 0K	-834.158909
Energy at 298.15K	-834.158483
HF Energy	-834.158909
Nuclear repulsion energy	108.120570

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	656	0.00	24.94	0.24	0.38
2	Σ_u	1546	1536	497.39	0.00	0.00	0.00
3	Π_u	388	385	2.82	0.00	0.00	0.00
3	Π_u	388	385	2.82	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	1.566
S3	0.000	0.000	-1.566

	C1	S2	S3
C1		1.5662	1.5662
S2	1.5662		3.1324
S3	1.5662	3.1324

Number	Element	Mulliken
1	C	-0.016
2	S	0.008
3	S	0.008

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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>	97.389
(<r²>)^1/2	9.869

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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