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	hartrees
Energy at 0K	-834.487733
Energy at 298.15K	-834.487379
HF Energy	-834.487733
Nuclear repulsion energy	109.221820

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	693	662	0.00	31.22	0.14	0.24
2	Σ_u	1571	1502	912.20	0.00	0.00	0.00
3	Π_u	416	398	3.45	0.00	0.00	0.00
3	Π_u	416	398	3.45	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	1.550
S3	0.000	0.000	-1.550

	C1	S2	S3
C1		1.5504	1.5504
S2	1.5504		3.1008
S3	1.5504	3.1008

Number	Element	Mulliken
1	C	0.132
2	S	-0.066
3	S	-0.066

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

using model chemistry: M06-2X/aug-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>	95.979
(<r²>)^1/2	9.797

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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