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	hartrees
Energy at 0K	-2837.250042
Energy at 298.15K
HF Energy	-2837.095670
Nuclear repulsion energy	183.040618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1454	1454	550.04
2	Σ	510	510	0.34
3	Π	342	342	5.78
3	Π	342	342	5.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.589
S2	0.000	0.000	-2.162
Se3	0.000	0.000	1.122

	C1	S2	Se3
C1		1.5729	1.7111
S2	1.5729		3.2841
Se3	1.7111	3.2841

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

using model chemistry: B2PLYP=FULLultrafine/daug-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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