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	hartrees
Energy at 0K	-2822.357005
Energy at 298.15K	-2822.354711
HF Energy	-2821.991000
Nuclear repulsion energy	183.104031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1445	1389	690.67
2	Σ	509	489	0.84
3	Π	350	336	2.13
3	Π	350	336	2.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.598
S2	0.000	0.000	-2.159
Se3	0.000	0.000	1.121

	C1	S2	Se3
C1		1.5612	1.7189
S2	1.5612		3.2801
Se3	1.7189	3.2801

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

using model chemistry: QCISD/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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