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	hartrees
Energy at 0K	-490.233460
Energy at 298.15K	-490.233069
Nuclear repulsion energy	70.865152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2340	2235	2.77
2	Σ	700	669	18.76
3	Π	436	416	2.97
3	Π	389	371	5.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.640
S2	0.000	0.000	1.024
N3	0.000	0.000	-1.792

	C1	S2	N3
C1		1.6642	1.1520
S2	1.6642		2.8162
N3	1.1520	2.8162

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

using model chemistry: CCD/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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