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	hartrees
Energy at 0K	-2834.873588
Energy at 298.15K	-2834.871321
HF Energy	-2834.873588
Nuclear repulsion energy	182.894917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1469	1404	502.31
2	Σ	508	485	0.02
3	Π	362	346	3.53
3	Π	362	346	3.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.577
S2	0.000	0.000	-2.169
Se3	0.000	0.000	1.122

	C1	S2	Se3
C1		1.5918	1.6995
S2	1.5918		3.2914
Se3	1.6995	3.2914

Number	Element	Mulliken
1	C	-0.532
2	S	0.212
3	Se	0.321

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

using model chemistry: PBE1PBE/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>	142.856
(<r²>)^1/2	11.952