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	hartrees
Energy at 0K	-490.971635
Energy at 298.15K
HF Energy	-490.971635
Nuclear repulsion energy	71.200671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2043	1954	15.21
2	Σ	767	734	4.41
3	Π	428	410	2.41
3	Π	361	346	6.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
S2	0.000	0.000	1.021
N3	0.000	0.000	-1.794

	C1	S2	N3
C1		1.6515	1.1642
S2	1.6515		2.8157
N3	1.1642	2.8157

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

using model chemistry: wB97X-D/6-311G**

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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