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	hartrees
Energy at 0K	-2837.377654
Energy at 298.15K
HF Energy	-2837.087063
Nuclear repulsion energy	183.949032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1460	1460	575.07
2	Σ	512	512	0.28
3	Π	351	351	5.20
3	Π	351	351	5.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.589
S2	0.000	0.000	-2.151
Se3	0.000	0.000	1.116

	C1	S2	Se3
C1		1.5617	1.7053
S2	1.5617		3.2670
Se3	1.7053	3.2670

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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