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	hartrees
Energy at 0K	-2824.017793
Energy at 298.15K
HF Energy	-2823.884546
Nuclear repulsion energy	183.471801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1476	1476	480.14
2	Σ	510	510	0.10
3	Π	362	362	3.61
3	Π	362	362	3.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.593
S2	0.000	0.000	-2.156
Se3	0.000	0.000	1.119

	C1	S2	Se3
C1		1.5623	1.7124
S2	1.5623		3.2746
Se3	1.7124	3.2746

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

using model chemistry: B2PLYP=FULLultrafine/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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