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	hartrees
Energy at 0K	-489.859079
Energy at 298.15K	-489.858720
HF Energy	-489.859079
Nuclear repulsion energy	71.536087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2003	1815	38.34
2	Σ	756	685	12.82
3	Π	462	419	3.37
3	Π	374	339	5.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.634
S2	0.000	0.000	1.017
N3	0.000	0.000	-1.781

	C1	S2	N3
C1		1.6507	1.1476
S2	1.6507		2.7984
N3	1.1476	2.7984

Number	Element	Mulliken
1	C	-0.015
2	S	0.143
3	N	-0.128

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

using model chemistry: HF/Def2TZVPP

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>	56.411
(<r²>)^1/2	7.511