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	hartrees
Energy at 0K	-490.979683
Energy at 298.15K	-490.979259
HF Energy	-490.979683
Nuclear repulsion energy	70.728600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1941	1913	4.20
2	Σ	742	732	0.68
3	Π	417	411	0.62
3	Π	352	347	5.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.617
S2	0.000	0.000	1.021
N3	0.000	0.000	-1.804

	C1	S2	N3
C1		1.6375	1.1871
S2	1.6375		2.8246
N3	1.1871	2.8246

Number	Element	Mulliken
1	C	0.011
2	S	0.061
3	N	-0.072

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

using model chemistry: B97D3/TZVP

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>	57.039
(<r²>)^1/2	7.552