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	hartrees
Energy at 0K	-488.527253
Energy at 298.15K	-488.526973
Nuclear repulsion energy	70.925416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1998	1917	8.09
2	Σ	773	742	1.74
3	Π	481	462	1.23
3	Π	438	420	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.612
S2	0.000	0.000	1.017
N3	0.000	0.000	-1.800

	C1	S2	N3
C1		1.6287	1.1887
S2	1.6287		2.8174
N3	1.1887	2.8174

Number	Element	Mulliken
1	C	0.095
2	S	0.291
3	N	-0.386

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

using model chemistry: B3PW91/3-21G*

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>	56.748
(<r²>)^1/2	7.533