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	hartrees
Energy at 0K	-25.415682
Energy at 298.15K	-25.415338
Nuclear repulsion energy	22.091322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2571	2441	16.06
2	Σ	682	647	27.88
3	Π	468	444	3.29
3	Π	426	405	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.654
S2	0.000	0.000	1.042
N3	0.000	0.000	-1.822

	C1	S2	N3
C1		1.6963	1.1680
S2	1.6963		2.8642
N3	1.1680	2.8642

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

using model chemistry: MP2/CEP-31G*

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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