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	hartrees
Energy at 0K	-2837.290328
Energy at 298.15K	-2837.288025
HF Energy	-2837.290328
Nuclear repulsion energy	183.353602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1434	1418	449.50
2	Σ	505	499	0.22
3	Π	343	339	6.59
3	Π	343	339	6.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.589
S2	0.000	0.000	-2.159
Se3	0.000	0.000	1.120

	C1	S2	Se3
C1		1.5697	1.7087
S2	1.5697		3.2783
Se3	1.7087	3.2783

Number	Element	Mulliken
1	C	-0.116
2	S	0.020
3	Se	0.096

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

using model chemistry: PBEPBEultrafine/TZVP

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>	141.435
(<r²>)^1/2	11.893