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	hartrees
Energy at 0K	-2832.886596
Energy at 298.15K	-2832.884227
HF Energy	-2832.661160
Nuclear repulsion energy	179.930558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1347	1298	533.81
2	Σ	469	452	0.04
3	Π	331	319	3.20
3	Π	331	319	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.586
S2	0.000	0.000	-2.205
Se3	0.000	0.000	1.141

	C1	S2	Se3
C1		1.6190	1.7268
S2	1.6190		3.3459
Se3	1.7268	3.3459

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

using model chemistry: QCISD/6-31G

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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