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	hartrees
Energy at 0K	-834.080519
Energy at 298.15K	-834.080087
HF Energy	-834.080519
Nuclear repulsion energy	107.774387

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	659	652	0.00	26.89	0.22	0.36
2	Σ_u	1544	1526	508.91	0.00	0.00	0.00
3	Π_u	389	384	3.27	0.00	0.00	0.00
3	Π_u	389	384	3.27	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	1.571
S3	0.000	0.000	-1.571

	C1	S2	S3
C1		1.5712	1.5712
S2	1.5712		3.1424
S3	1.5712	3.1424

Number	Element	Mulliken
1	C	0.022
2	S	-0.011
3	S	-0.011

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

using model chemistry: PBEPBE/6-31+G**

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>	98.153
(<r²>)^1/2	9.907

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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