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	hartrees
Energy at 0K	-2837.360212
Energy at 298.15K	-2837.357958
HF Energy	-2837.360212
Nuclear repulsion energy	184.340140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1488	1432	641.13
2	Σ	529	509	0.58
3	Π	355	342	5.40
3	Π	355	342	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.585
S2	0.000	0.000	-2.147
Se3	0.000	0.000	1.114

	C1	S2	Se3
C1		1.5619	1.6990
S2	1.5619		3.2610
Se3	1.6990	3.2610

Number	Element	Mulliken
1	C	-0.492
2	S	0.152
3	Se	0.340

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

using model chemistry: HSEh1PBE/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>	140.256
(<r²>)^1/2	11.843