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	hartrees
Energy at 0K	-830.232321
Energy at 298.15K
HF Energy	-830.101636
Nuclear repulsion energy	108.436059

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	671	671	0.00	27.10	0.32	0.48
2	Σ_u	1587	1587	538.76	0.00	0.00	0.00
3	Π_u	405	405	2.25	0.00	0.00	0.00
3	Π_u	405	405	2.25	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	1.562
S3	0.000	0.000	-1.562

	C1	S2	S3
C1		1.5616	1.5616
S2	1.5616		3.1233
S3	1.5616	3.1233

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

States and conformations

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