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	hartrees
Energy at 0K	-2837.780166
Energy at 298.15K	-2837.777884
HF Energy	-2837.780166
Nuclear repulsion energy	183.660604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1459	1412	568.55
2	Σ	517	500	0.40
3	Π	347	336	5.34
3	Π	347	336	5.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.587
S2	0.000	0.000	-2.155
Se3	0.000	0.000	1.118

	C1	S2	Se3
C1		1.5683	1.7049
S2	1.5683		3.2732
Se3	1.7049	3.2732

Number	Element	Mulliken
1	C	-0.452
2	S	0.130
3	Se	0.322

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

using model chemistry: TPSSh/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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<r²>	141.093
(<r²>)^1/2	11.878