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	hartrees
Energy at 0K	-25.066274
Energy at 298.15K	-25.065859
Nuclear repulsion energy	22.194874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1986	1783	35.10
2	Σ	752	676	12.68
3	Π	436	391	3.80
3	Π	353	317	4.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
S2	0.000	0.000	1.030
N3	0.000	0.000	-1.812

	C1	S2	N3
C1		1.6634	1.1792
S2	1.6634		2.8426
N3	1.1792	2.8426

Number	Element	Mulliken
1	C	-0.281
2	S	0.001
3	N	0.280

All results from a given calculation for SCN (thiocyanato radical)

using model chemistry: HF/CEP-31G*

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>	39.455
(<r²>)^1/2	6.281