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	hartrees
Energy at 0K	-490.919350
Energy at 298.15K	-490.918959
Nuclear repulsion energy	70.791615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1994	1924	12.12
2	Σ	774	747	2.69
3	Π	431	416	1.66
3	Π	361	348	5.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.616
S2	0.000	0.000	1.020
N3	0.000	0.000	-1.803

	C1	S2	N3
C1		1.6354	1.1868
S2	1.6354		2.8222
N3	1.1868	2.8222

Number	Element	Mulliken
1	C	-0.005
2	S	0.122
3	N	-0.117

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

using model chemistry: B3PW91/cc-pVDZ

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>	56.743
(<r²>)^1/2	7.533