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	hartrees
Energy at 0K	-825.196331
Energy at 298.15K	-825.195813
HF Energy	-825.196331
Nuclear repulsion energy	108.244571

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	710	633	0.00	14.34	0.29	0.45
2	Σ_u	1794	1601	273.94	0.00	0.00	0.00
3	Π_u	389	347	0.06	0.00	0.00	0.00
3	Π_u	389	347	0.06	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	1.564
S3	0.000	0.000	-1.564

	C1	S2	S3
C1		1.5644	1.5644
S2	1.5644		3.1288
S3	1.5644	3.1288

Number	Element	Mulliken
1	C	-0.305
2	S	0.153
3	S	0.153

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

using model chemistry: B3LYP/STO-3G

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>	94.814
(<r²>)^1/2	9.737

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

using model chemistry: B3LYP/STO-3G

States and conformations

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