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	hartrees
Energy at 0K	-4841.071469
Energy at 298.15K	-4841.067309
HF Energy	-4841.071469
Nuclear repulsion energy	307.374280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	380	366	0.00
2	Σ_u	1332	1283	485.13
3	Π_u	317	305	9.04
3	Π_u	317	305	9.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Se2	0.000	0.000	1.698
Se3	0.000	0.000	-1.698

	C1	Se2	Se3
C1		1.6975	1.6975
Se2	1.6975		3.3950
Se3	1.6975	3.3950

Number	Element	Mulliken
1	C	-0.211
2	Se	0.105
3	Se	0.105

All results from a given calculation for CSe₂ (Carbon diselenide)

using model chemistry: TPSSh/TZVP

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>	221.145
(<r²>)^1/2	14.871

All results from a given calculation for CSe2 (Carbon diselenide)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CSe₂ (Carbon diselenide)