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	hartrees
Energy at 0K	-2837.890993
Energy at 298.15K	-2837.888746
HF Energy	-2837.890993
Nuclear repulsion energy	184.858335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1461	1461	631.71
2	Σ	520	520	0.69
3	Π	364	364	5.73
3	Π	364	364	5.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.589
S2	0.000	0.000	-2.139
Se3	0.000	0.000	1.111

	C1	S2	Se3
C1		1.5497	1.7001
S2	1.5497		3.2498
Se3	1.7001	3.2498

Number	Element	Mulliken
1	C	-0.003
2	S	-0.116
3	Se	0.119

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

using model chemistry: B3LYPultrafine/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>	139.538
(<r²>)^1/2	11.813