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	hartrees
Energy at 0K	-489.413163
Energy at 298.15K	-489.412774
Nuclear repulsion energy	70.900190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1993	1971	0.97
2	Σ	798	789	0.14
3	Π	430	425	1.08
3	Π	355	352	5.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.607
S2	0.000	0.000	1.016
N3	0.000	0.000	-1.803

	C1	S2	N3
C1		1.6239	1.1953
S2	1.6239		2.8192
N3	1.1953	2.8192

Number	Element	Mulliken
1	C	-0.047
2	S	0.109
3	N	-0.062

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

using model chemistry: LSDA/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>	56.551
(<r²>)^1/2	7.520