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	hartrees
Energy at 0K	-490.938942
Energy at 298.15K	-490.938550
Nuclear repulsion energy	71.213929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1994	1920	9.60
2	Σ	771	742	2.08
3	Π	429	413	1.90
3	Π	362	348	6.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.613
S2	0.000	0.000	1.014
N3	0.000	0.000	-1.791

	C1	S2	N3
C1		1.6270	1.1782
S2	1.6270		2.8053
N3	1.1782	2.8053

Number	Element	Mulliken
1	C	0.004
2	S	0.229
3	N	-0.234

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

using model chemistry: B3PW91/6-311G**

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>	56.475
(<r²>)^1/2	7.515