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	hartrees
Energy at 0K	-490.262115
Energy at 298.15K	-490.261646
Nuclear repulsion energy	69.685640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1983	1909
2	Σ	714	687
3	Π	399	384
3	Π	335	323

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
S2	0.000	0.000	1.037
N3	0.000	0.000	-1.828

	C1	S2	N3
C1		1.6707	1.1949
S2	1.6707		2.8656
N3	1.1949	2.8656

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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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