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	hartrees
Energy at 0K	-490.928270
Energy at 298.15K	-490.927853
HF Energy	-490.928270
Nuclear repulsion energy	70.935552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2042	1945	13.26
2	Σ	763	727	4.96
3	Π	418	398	1.63
3	Π	352	335	5.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
S2	0.000	0.000	1.025
N3	0.000	0.000	-1.802

	C1	S2	N3
C1		1.6558	1.1717
S2	1.6558		2.8275
N3	1.1717	2.8275

Number	Element	Mulliken
1	C	0.032
2	S	0.202
3	N	-0.234

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

using model chemistry: wB97X-D/cc-pVDZ

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>	56.934
(<r²>)^1/2	7.545