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	hartrees
Energy at 0K	-2837.258585
Energy at 298.15K	-2837.256267
HF Energy	-2837.258585
Nuclear repulsion energy	182.683530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1440	1431	469.46
2	Σ	505	502	0.32
3	Π	335	333	6.16
3	Π	335	333	6.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.590
S2	0.000	0.000	-2.167
Se3	0.000	0.000	1.124

	C1	S2	Se3
C1		1.5768	1.7139
S2	1.5768		3.2907
Se3	1.7139	3.2907

Number	Element	Mulliken
1	C	-0.418
2	S	0.123
3	Se	0.294

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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>	142.435
(<r²>)^1/2	11.935