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	hartrees
Energy at 0K	-2824.801107
Energy at 298.15K	-2824.798883
HF Energy	-2824.801107
Nuclear repulsion energy	184.821805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1510	1434	599.96
2	Σ	529	502	0.24
3	Π	374	356	3.92
3	Π	374	356	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.588
S2	0.000	0.000	-2.140
Se3	0.000	0.000	1.111

	C1	S2	Se3
C1		1.5527	1.6984
S2	1.5527		3.2512
Se3	1.6984	3.2512

Number	Element	Mulliken
1	C	-0.170
2	S	0.154
3	Se	0.017

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

using model chemistry: mPW1PW91/3-21G*

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>	139.392
(<r²>)^1/2	11.806