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	hartrees
Energy at 0K	-2837.872309
Energy at 298.15K	-2837.870057
HF Energy	-2837.872309
Nuclear repulsion energy	184.637675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1468	1421	563.28
2	Σ	520	503	0.34
3	Π	360	349	4.47
3	Π	360	349	4.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.587
S2	0.000	0.000	-2.143
Se3	0.000	0.000	1.112

	C1	S2	Se3
C1		1.5560	1.6988
S2	1.5560		3.2548
Se3	1.6988	3.2548

Number	Element	Mulliken
1	C	-0.123
2	S	0.007
3	Se	0.116

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

using model chemistry: TPSSh/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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<r²>	139.648
(<r²>)^1/2	11.817