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	hartrees
Energy at 0K	-490.761953
Energy at 298.15K	-490.761541
Nuclear repulsion energy	70.814289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1928	1915	4.32
2	Σ	763	758	0.56
3	Π	423	420	0.86
3	Π	350	348	5.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.612
S2	0.000	0.000	1.019
N3	0.000	0.000	-1.803

	C1	S2	N3
C1		1.6308	1.1911
S2	1.6308		2.8219
N3	1.1911	2.8219

Number	Element	Mulliken
1	C	-0.059
2	S	0.079
3	N	-0.020

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

using model chemistry: PBEPBE/cc-pVTZ

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>	56.860
(<r²>)^1/2	7.541