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	hartrees
Energy at 0K	-2837.952040
Energy at 298.15K	-2837.949820
HF Energy	-2837.952040
Nuclear repulsion energy	185.413633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1475	1411	811.19
2	Σ	533	510	0.65
3	Π	371	355	5.35
3	Π	371	355	5.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.586
S2	0.000	0.000	-2.134
Se3	0.000	0.000	1.107

	C1	S2	Se3
C1		1.5480	1.6928
S2	1.5480		3.2408
Se3	1.6928	3.2408

Number	Element	Mulliken
1	C	-0.354
2	S	-0.002
3	Se	0.356

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

using model chemistry: wB97X-D/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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<r²>	138.728
(<r²>)^1/2	11.778