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	hartrees
Energy at 0K	-25.634220
Energy at 298.15K	-25.633785
Nuclear repulsion energy	22.007733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1949	1882	7.50
2	Σ	748	722	3.32
3	Π	416	402	1.39
3	Π	353	341	4.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.622
S2	0.000	0.000	1.032
N3	0.000	0.000	-1.827

	C1	S2	N3
C1		1.6540	1.2057
S2	1.6540		2.8597
N3	1.2057	2.8597

Number	Element	Mulliken
1	C	-0.254
2	S	-0.055
3	N	0.309

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

using model chemistry: B3LYP/CEP-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>	39.447
(<r²>)^1/2	6.281