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	hartrees
Energy at 0K	-25.212724
Energy at 298.15K	-25.212419
Nuclear repulsion energy	21.818810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2900	2830	133.38
2	Σ	657	641	36.21
3	Π	485	474	2.04
3	Π	448	437	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.695
S2	0.000	0.000	1.069
N3	0.000	0.000	-1.848

	C1	S2	N3
C1		1.7639	1.1533
S2	1.7639		2.9172
N3	1.1533	2.9172

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

using model chemistry: MP2/CEP-121G

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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