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	hartrees
Energy at 0K	-167.138149
Energy at 298.15K	-167.138228
HF Energy	-167.138149
Nuclear repulsion energy	53.040122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2380	2380	568.57
2	Σ	1394	1394	0.00
3	Π	706	706	39.72
3	Π	649	649	71.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.250
C2	0.000	0.000	-0.024
O3	0.000	0.000	1.112

	N1	C2	O3
N1		1.2267	2.3619
C2	1.2267		1.1352
O3	2.3619	1.1352

Number	Element	Mulliken
1	N	-0.361
2	C	0.646
3	O	-0.285

All results from a given calculation for NCO (isocyanato radical)

using model chemistry: ROHF/6-31G(2df,p)

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>	31.366
(<r²>)^1/2	5.601