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	hartrees
Energy at 0K	-490.812252
Energy at 298.15K	-490.811879
HF Energy	-490.812252
Nuclear repulsion energy	71.374622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2001	1923	13.45
2	Σ	774	744	3.39
3	Π	441	424	1.57
3	Π	367	353	5.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.613
S2	0.000	0.000	1.012
N3	0.000	0.000	-1.787

	C1	S2	N3
C1		1.6247	1.1741
S2	1.6247		2.7988
N3	1.1741	2.7988

Number	Element	Mulliken
1	C	-0.048
2	S	0.075
3	N	-0.027

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

using model chemistry: HSEh1PBE/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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<r²>	56.227
(<r²>)^1/2	7.498