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	hartrees
Energy at 0K	-2837.403257
Energy at 298.15K	-2837.401008
HF Energy	-2837.188127
Nuclear repulsion energy	184.412159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1468	1404	533.05
2	Σ	515	493	0.25
3	Π	363	347	4.77
3	Π	363	347	4.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.588
S2	0.000	0.000	-2.145
Se3	0.000	0.000	1.113

	C1	S2	Se3
C1		1.5579	1.7009
S2	1.5579		3.2588
Se3	1.7009	3.2588

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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