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	hartrees
Energy at 0K	-56.524537
Energy at 298.15K	-56.520349
HF Energy	-56.524537
Nuclear repulsion energy	27.613882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	355	341	0.00
2	Σ_u	1289	1239	409.71
3	Π_u	322	309	8.11
3	Π_u	322	309	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Se2	0.000	0.000	1.725
Se3	0.000	0.000	-1.725

	C1	Se2	Se3
C1		1.7247	1.7247
Se2	1.7247		3.4494
Se3	1.7247	3.4494

Number	Element	Mulliken
1	C	-0.264
2	Se	0.132
3	Se	0.132

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

using model chemistry: B3LYP/LANL2DZ

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>	56.964
(<r²>)^1/2	7.547

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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