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	hartrees
Energy at 0K	-4787.846030
Energy at 298.15K	-4787.841901
HF Energy	-4787.846030
Nuclear repulsion energy	316.550698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	394	346	0.00
2	Σ_u	1524	1339	347.39
3	Π_u	379	333	0.35
3	Π_u	379	333	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Se2	0.000	0.000	1.648
Se3	0.000	0.000	-1.648

	C1	Se2	Se3
C1		1.6483	1.6483
Se2	1.6483		3.2966
Se3	1.6483	3.2966

Number	Element	Mulliken
1	C	-0.301
2	Se	0.150
3	Se	0.150

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

using model chemistry: mPW1PW91/STO-3G

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>	208.581
(<r²>)^1/2	14.442

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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