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	hartrees
Energy at 0K	-490.248876
Energy at 298.15K	-490.248408
Nuclear repulsion energy	70.495885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2021	1935	12.26
2	Σ	728	697	4.84
3	Π	396	380	1.86
3	Π	340	326	4.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.627
S2	0.000	0.000	1.026
N3	0.000	0.000	-1.807

	C1	S2	N3
C1		1.6524	1.1803
S2	1.6524		2.8327
N3	1.1803	2.8327

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

using model chemistry: QCISD/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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