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	hartrees
Energy at 0K	-2837.248433
Energy at 298.15K
HF Energy	-2837.095138
Nuclear repulsion energy	183.012363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1453	1398	547.43
2	Σ	510	490	0.36
3	Π	344	331	5.71
3	Π	344	331	5.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.590
S2	0.000	0.000	-2.163
Se3	0.000	0.000	1.122

	C1	S2	Se3
C1		1.5731	1.7115
S2	1.5731		3.2846
Se3	1.7115	3.2846

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

using model chemistry: B2PLYP=FULLultrafine/aug-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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