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	hartrees
Energy at 0K	-490.408998
Energy at 298.15K	-490.408713
Nuclear repulsion energy	71.092504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2027	2027	33.49
2	Σ	754	754	12.28
3	Π	446	446	6.16
3	Π	359	359	7.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.629
S2	0.000	0.000	1.019
N3	0.000	0.000	-1.789

	C1	S2	N3
C1		1.6480	1.1600
S2	1.6480		2.8080
N3	1.1600	2.8080

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

using model chemistry: CBS-Q

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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