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	hartrees
Energy at 0K	-2837.253735
Energy at 298.15K	-2837.251429
HF Energy	-2837.253735
Nuclear repulsion energy	182.754436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1451	1443	419.51
2	Σ	508	505	0.22
3	Π	341	339	3.99
3	Π	341	339	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.590
S2	0.000	0.000	-2.166
Se3	0.000	0.000	1.123

	C1	S2	Se3
C1		1.5764	1.7131
S2	1.5764		3.2895
Se3	1.7131	3.2895

Number	Element	Mulliken
1	C	-0.078
2	S	0.011
3	Se	0.067

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

using model chemistry: PBEPBEultrafine/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>	141.971
(<r²>)^1/2	11.915