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	hartrees
Energy at 0K	-490.175587
Energy at 298.15K	-490.175187
Nuclear repulsion energy	70.664953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2366	2219	3.43
2	Σ	701	658	20.87
3	Π	431	404	4.48
3	Π	386	362	7.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.640
S2	0.000	0.000	1.027
N3	0.000	0.000	-1.798

	C1	S2	N3
C1		1.6664	1.1579
S2	1.6664		2.8243
N3	1.1579	2.8243

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

using model chemistry: CCD/6-31G**

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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