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	hartrees
Energy at 0K	-4836.036976
Energy at 298.15K	-4836.032869
HF Energy	-4836.036976
Nuclear repulsion energy	307.337621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	384	378	0.00
2	Σ_u	1374	1351	374.12
3	Π_u	342	337	5.82
3	Π_u	342	337	5.82

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		1.6977	1.6977
Se2	1.6977		3.3954
Se3	1.6977	3.3954

Number	Element	Mulliken
1	C	0.094
2	Se	-0.047
3	Se	-0.047

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

using model chemistry: PBEPBEultrafine/6-31G*

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>	220.961
(<r²>)^1/2	14.865

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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