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	hartrees
Energy at 0K	-834.398825
Energy at 298.15K	-834.398283
HF Energy	-834.398825
Nuclear repulsion energy	105.313319

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	604	604	0.00	24.39	0.30	0.46
2	Σ_u	1471	1471	399.29	0.00	0.00	0.00
3	Π_u	353	353	1.90	0.00	0.00	0.00
3	Π_u	353	353	1.90	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	1.608
S3	0.000	0.000	-1.608

	C1	S2	S3
C1		1.6079	1.6079
S2	1.6079		3.2159
S3	1.6079	3.2159

Number	Element	Mulliken
1	C	-0.393
2	S	0.196
3	S	0.196

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

using model chemistry: B97D3/6-31G

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>	102.095
(<r²>)^1/2	10.104

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

using model chemistry: B97D3/6-31G

States and conformations

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