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	hartrees
Energy at 0K	-487.734479
Energy at 298.15K	-487.734234
Nuclear repulsion energy	70.584023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2737	2595	15.78
2	Σ	696	660	17.35
3	Π	516	490	3.11
3	Π	482	457	4.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.647
S2	0.000	0.000	1.029
N3	0.000	0.000	-1.798

	C1	S2	N3
C1		1.6761	1.1509
S2	1.6761		2.8271
N3	1.1509	2.8271

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

using model chemistry: MP2=FULL/3-21G*

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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