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	hartrees
Energy at 0K	-490.745301
Energy at 298.15K	-490.744898
Nuclear repulsion energy	71.043480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2014	1916	12.92
2	Σ	777	739	2.64
3	Π	429	408	3.09
3	Π	361	343	7.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.613
S2	0.000	0.000	1.016
N3	0.000	0.000	-1.796

	C1	S2	N3
C1		1.6288	1.1835
S2	1.6288		2.8123
N3	1.1835	2.8123

Number	Element	Mulliken
1	C	0.158
2	S	0.167
3	N	-0.325

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

using model chemistry: HSEh1PBE/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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<r²>	56.517
(<r²>)^1/2	7.518