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	hartrees
Energy at 0K	-167.994458
Energy at 298.15K	-167.994393
HF Energy	-167.994458
Nuclear repulsion energy	52.176866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2019	1942	69.13
2	Σ	1303	1253	8.34
3	Π	597	574	14.84
3	Π	511	491	38.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.262
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.134

	N1	C2	O3
N1		1.2230	2.3968
C2	1.2230		1.1738
O3	2.3968	1.1738

Number	Element	Mulliken
1	N	-0.136
2	C	0.250
3	O	-0.114

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

using model chemistry: B3PW91/cc-pVTZ

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>	31.908
(<r²>)^1/2	5.649