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	hartrees
Energy at 0K	-485.102448
Energy at 298.15K	-485.101882
Nuclear repulsion energy	69.197950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1873	1711	35.55
2	Σ	789	721	0.69
3	Π	397	363	0.94
3	Π	329	300	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.610
S2	0.000	0.000	1.039
N3	0.000	0.000	-1.852

	C1	S2	N3
C1		1.6485	1.2428
S2	1.6485		2.8913
N3	1.2428	2.8913

Number	Element	Mulliken
1	C	-0.097
2	S	0.250
3	N	-0.152

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

using model chemistry: PBEPBE/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>	57.005
(<r²>)^1/2	7.550