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	hartrees
Energy at 0K	-485.319498
Energy at 298.15K	-485.318900
Nuclear repulsion energy	68.836912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1832	1695	34.61
2	Σ	761	704	0.89
3	Π	386	357	0.86
3	Π	322	298	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.615
S2	0.000	0.000	1.045
N3	0.000	0.000	-1.861

	C1	S2	N3
C1		1.6601	1.2459
S2	1.6601		2.9059
N3	1.2459	2.9059

Number	Element	Mulliken
1	C	-0.096
2	S	0.253
3	N	-0.157

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

using model chemistry: BLYP/STO-3G

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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<r²>	57.476
(<r²>)^1/2	7.581