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	hartrees
Energy at 0K	-490.924175
Energy at 298.15K	-490.923766
HF Energy	-490.924175
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2047	1942	17.90
2	Σ	768	728	4.69
3	Π	427	405	3.68
3	Π	360	341	7.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
S2	0.000	0.000	1.025
N3	0.000	0.000	-1.802

	C1	S2	N3
C1		1.6553	1.1718
S2	1.6553		2.8270
N3	1.1718	2.8270

Number	Element	Mulliken
1	C	0.160
2	S	0.160
3	N	-0.320

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

using model chemistry: wB97X-D/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>	56.663
(<r²>)^1/2	7.527