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	hartrees
Energy at 0K	-490.999909
Energy at 298.15K	-490.999543
HF Energy	-490.999909
Nuclear repulsion energy	71.135290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1956	1887	9.54
2	Σ	780	753	1.15
3	Π	445	430	1.78
4	Π	374	361	6.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.624
S2	0.000	0.000	1.022
N3	0.000	0.000	-1.800

	C1	S2	N3
C1		1.6455	1.1763
S2	1.6455		2.8219
N3	1.1763	2.8219

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

using model chemistry: TPSSh/6-31G(2df,p)

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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