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	hartrees
Energy at 0K	-2835.857637
Energy at 298.15K	-2835.855401
HF Energy	-2835.295656
Nuclear repulsion energy	184.704849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1454	1399	776.16
2	Σ	520	501	0.91
3	Π	368	354	4.97
3	Π	368	354	4.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.587
S2	0.000	0.000	-2.142
Se3	0.000	0.000	1.112

	C1	S2	Se3
C1		1.5555	1.6982
S2	1.5555		3.2537
Se3	1.6982	3.2537

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

using model chemistry: QCISD/aug-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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