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	hartrees
Energy at 0K	-491.056937
Energy at 298.15K	-491.056546
HF Energy	-491.056937
Nuclear repulsion energy	71.149830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1954	1892	10.34
2	Σ	769	744	1.98
3	Π	433	419	1.24
4	Π	360	348	5.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.627
S2	0.000	0.000	1.022
N3	0.000	0.000	-1.798

	C1	S2	N3
C1		1.6486	1.1712
S2	1.6486		2.8199
N3	1.1712	2.8199

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

using model chemistry: TPSSh/cc-pVTZ

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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