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	hartrees
Energy at 0K	-2837.370897
Energy at 298.15K	-2837.368674
HF Energy	-2837.370897
Nuclear repulsion energy	185.581633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1498	1498	654.89
2	Σ	533	533	0.63
3	Π	370	370	5.73
3	Π	370	370	5.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.586
S2	0.000	0.000	-2.131
Se3	0.000	0.000	1.106

	C1	S2	Se3
C1		1.5454	1.6922
S2	1.5454		3.2376
Se3	1.6922	3.2376

Number	Element	Mulliken
1	C	0.010
2	S	-0.135
3	Se	0.126

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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>	138.513
(<r²>)^1/2	11.769