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	hartrees
Energy at 0K	-167.964543
Energy at 298.15K	-167.964506
HF Energy	-167.964543
Nuclear repulsion energy	52.027333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2056	2056	132.80
2	Σ	1324	1324	7.25
3	Π	612	612	15.93
3	Π	535	535	34.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.268
C2	0.000	0.000	-0.037
O3	0.000	0.000	1.137

	N1	C2	O3
N1		1.2308	2.4043
C2	1.2308		1.1735
O3	2.4043	1.1735

Number	Element	Mulliken
1	N	-0.214
2	C	0.413
3	O	-0.199

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

using model chemistry: M06-2X/aug-cc-pVDZ

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>	32.231
(<r²>)^1/2	5.677