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	hartrees
Energy at 0K	-168.009160
Energy at 298.15K	-168.009046
HF Energy	-168.009160
Nuclear repulsion energy	51.738390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1989	1917	70.20
2	Σ	1294	1247	9.22
3	Π	560	540	13.03
3	Π	485	467	37.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.144

	N1	C2	O3
N1		1.2304	2.4166
C2	1.2304		1.1863
O3	2.4166	1.1863

Number	Element	Mulliken
1	N	-0.267
2	C	0.620
3	O	-0.354

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

using model chemistry: B3LYP/6-31+G**

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>	32.545
(<r²>)^1/2	5.705