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	hartrees
Energy at 0K	-2837.248443
Energy at 298.15K	-2837.246149
HF Energy	-2837.095152
Nuclear repulsion energy	183.023682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1454	1398	547.52
2	Σ	510	491	0.33
3	Π	344	331	5.72
3	Π	344	331	5.72

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	1.7113
S2	1.5731		3.2844
Se3	1.7113	3.2844

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

using model chemistry: B2PLYP=FULL/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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