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	hartrees
Energy at 0K	-489.398942
Energy at 298.15K	-489.398589
Nuclear repulsion energy	71.441314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1998	1966	0.64
2	Σ	804	791	0.01
3	Π	449	442	1.60
3	Π	374	368	7.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.600
S2	0.000	0.000	1.008
N3	0.000	0.000	-1.790

	C1	S2	N3
C1		1.6081	1.1903
S2	1.6081		2.7984
N3	1.1903	2.7984

Number	Element	Mulliken
1	C	0.285
2	S	-0.021
3	N	-0.263

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

using model chemistry: LSDA/6-31G(2df,p)

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>	55.899
(<r²>)^1/2	7.477