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	hartrees
Energy at 0K	-25.641358
Energy at 298.15K	-25.640927
Nuclear repulsion energy	22.152674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1922	1863	12.76
2	Σ	734	712	3.42
3	Π	417	404	0.93
3	Π	354	344	4.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.625
S2	0.000	0.000	1.029
N3	0.000	0.000	-1.815

	C1	S2	N3
C1		1.6539	1.1902
S2	1.6539		2.8441
N3	1.1902	2.8441

Number	Element	Mulliken
1	C	-0.078
2	S	0.041
3	N	0.038

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

using model chemistry: B3LYP/CEP-121G*

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>	39.192
(<r²>)^1/2	6.260