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	hartrees
Energy at 0K	-488.621052
Energy at 298.15K	-488.620765
Nuclear repulsion energy	70.823958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1998	1923	8.55
2	Σ	761	732	1.85
3	Π	478	460	1.35
3	Π	436	419	4.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.614
S2	0.000	0.000	1.019
N3	0.000	0.000	-1.802

	C1	S2	N3
C1		1.6333	1.1877
S2	1.6333		2.8211
N3	1.1877	2.8211

Number	Element	Mulliken
1	C	0.101
2	S	0.275
3	N	-0.376

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

using model chemistry: B3LYP/3-21G*

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>	56.870
(<r²>)^1/2	7.541