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	hartrees
Energy at 0K	-2838.010280
Energy at 298.15K	-2838.008030
HF Energy	-2838.010280
Nuclear repulsion energy	185.147934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1490	1422	684.52
2	Σ	530	506	0.52
3	Π	361	345	4.58
3	Π	361	345	4.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.585
S2	0.000	0.000	-2.137
Se3	0.000	0.000	1.109

	C1	S2	Se3
C1		1.5521	1.6939
S2	1.5521		3.2460
Se3	1.6939	3.2460

Number	Element	Mulliken
1	C	-0.196
2	S	0.125
3	Se	0.071

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

using model chemistry: mPW1PW91/6-311G*

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>	139.172
(<r²>)^1/2	11.797