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	hartrees
Energy at 0K	-491.056465
Energy at 298.15K	-491.056075
HF Energy	-491.056465
Nuclear repulsion energy	71.158390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1988	1923	8.45
2	Σ	753	728	2.79
3	Π	433	419	1.12
4	Π	365	353	4.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.622
S2	0.000	0.000	1.018
N3	0.000	0.000	-1.793

	C1	S2	N3
C1		1.6400	1.1706
S2	1.6400		2.8106
N3	1.1706	2.8106

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

using model chemistry: B3LYPultrafine/aug-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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