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	hartrees
Energy at 0K	-167.182312
Energy at 298.15K	-167.182386
HF Energy	-167.182312
Nuclear repulsion energy	53.165213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2368	2151	650.90
2	Σ	1388	1261	0.06
3	Π	700	636	35.24
3	Π	641	583	68.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.248
C2	0.000	0.000	-0.023
O3	0.000	0.000	1.109

	N1	C2	O3
N1		1.2245	2.3565
C2	1.2245		1.1320
O3	2.3565	1.1320

Number	Element	Mulliken
1	N	-0.839
2	C	1.450
3	O	-0.611

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

using model chemistry: ROHF/6-311+G(3df,2p)

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>	31.467
(<r²>)^1/2	5.610