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	hartrees
Energy at 0K	-489.968200
Energy at 298.15K	-489.967554
Nuclear repulsion energy	67.737375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1995	1923	20.75
2	Σ	622	599	9.91
3	Π	321	309	1.78
3	Π	302	291	3.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.673
S2	0.000	0.000	1.072
N3	0.000	0.000	-1.874

	C1	S2	N3
C1		1.7449	1.2011
S2	1.7449		2.9460
N3	1.2011	2.9460

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

using model chemistry: QCISD/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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