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	hartrees
Energy at 0K	-490.222808
Energy at 298.15K	-490.222461
Nuclear repulsion energy	70.251472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2514	2437	3.35
2	Σ	680	659	28.05
3	Π	460	446	2.03
3	Π	415	402	6.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.650
S2	0.000	0.000	1.034
N3	0.000	0.000	-1.806

	C1	S2	N3
C1		1.6844	1.1560
S2	1.6844		2.8404
N3	1.1560	2.8404

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

using model chemistry: MP2=FULL/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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