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	hartrees
Energy at 0K	-2823.643836
Energy at 298.15K	-2823.641535
HF Energy	-2823.560985
Nuclear repulsion energy	180.511574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1404	1404	393.49
2	Σ	478	478	0.03
3	Π	357	357	6.01
3	Π	357	357	6.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.590
S2	0.000	0.000	-2.195
Se3	0.000	0.000	1.137

	C1	S2	Se3
C1		1.6052	1.7276
S2	1.6052		3.3328
Se3	1.7276	3.3328

Number	Element	Mulliken
1	C	-0.750
2	S	0.332
3	Se	0.418

All results from a given calculation for SCSe (Carbon sulfide selenide)

using model chemistry: B2PLYP/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>	145.977
(<r²>)^1/2	12.082