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	hartrees
Energy at 0K	-4819.038507
Energy at 298.15K	-4819.034387
HF Energy	-4819.038507
Nuclear repulsion energy	307.363612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	386	367	0.00
2	Σ_u	1381	1311	506.30
3	Π_u	334	317	6.19
3	Π_u	334	317	6.19

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		1.6976	1.6976
Se2	1.6976		3.3951
Se3	1.6976	3.3951

Number	Element	Mulliken
1	C	-0.033
2	Se	0.016
3	Se	0.016

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

using model chemistry: mPW1PW91/3-21G*

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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<r²>	220.819
(<r²>)^1/2	14.860

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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