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	hartrees
Energy at 0K	-2837.304865
Energy at 298.15K	-2837.302575
HF Energy	-2837.304865
Nuclear repulsion energy	183.926419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1449	1431	454.81
2	Σ	510	504	0.22
3	Π	349	345	5.67
3	Π	349	345	5.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.591
S2	0.000	0.000	-2.151
Se3	0.000	0.000	1.116

	C1	S2	Se3
C1		1.5597	1.7072
S2	1.5597		3.2668
Se3	1.7072	3.2668

Number	Element	Mulliken
1	C	0.007
2	S	-0.054
3	Se	0.047

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

using model chemistry: PBEPBE/Def2TZVPP

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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<r²>	140.541
(<r²>)^1/2	11.855