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	hartrees
Energy at 0K	-490.320393
Energy at 298.15K	-490.320048
Nuclear repulsion energy	70.840139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2527	2399	0.98
2	Σ	681	647	22.81
3	Π	457	434	2.53
3	Π	418	397	6.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.646
S2	0.000	0.000	1.026
N3	0.000	0.000	-1.791

	C1	S2	N3
C1		1.6714	1.1454
S2	1.6714		2.8168
N3	1.1454	2.8168

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

using model chemistry: MP2/cc-pVTZ

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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