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	hartrees
Energy at 0K	-4840.378980
Energy at 298.15K	-4840.374791
HF Energy	-4840.378980
Nuclear repulsion energy	305.467660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	371	367	0.00
2	Σ_u	1313	1299	403.21
3	Π_u	311	307	7.78
3	Π_u	311	307	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Se2	0.000	0.000	1.708
Se3	0.000	0.000	-1.708

	C1	Se2	Se3
C1		1.7081	1.7081
Se2	1.7081		3.4162
Se3	1.7081	3.4162

Number	Element	Mulliken
1	C	-0.158
2	Se	0.079
3	Se	0.079

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

using model chemistry: PBEPBE/6-311G*

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>	223.595
(<r²>)^1/2	14.953

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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