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	hartrees
Energy at 0K	-489.391431
Energy at 298.15K	-489.391026
Nuclear repulsion energy	71.059421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1998	1961	0.64
2	Σ	796	781	0.02
3	Π	426	418	2.40
3	Π	354	348	8.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.605
S2	0.000	0.000	1.014
N3	0.000	0.000	-1.799

	C1	S2	N3
C1		1.6187	1.1944
S2	1.6187		2.8131
N3	1.1944	2.8131

Number	Element	Mulliken
1	C	0.165
2	S	0.133
3	N	-0.298

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

using model chemistry: LSDA/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>	56.417
(<r²>)^1/2	7.511