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	hartrees
Energy at 0K	-167.895883
Energy at 298.15K	-167.895830
HF Energy	-167.895883
Nuclear repulsion energy	52.261013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2025	1947	78.06
2	Σ	1312	1262	8.30
3	Π	606	583	14.09
3	Π	519	499	37.35

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.132

	N1	C2	O3
N1		1.2219	2.3931
C2	1.2219		1.1711
O3	2.3931	1.1711

Number	Element	Mulliken
1	N	-0.179
2	C	0.309
3	O	-0.129

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

using model chemistry: HSEh1PBE/aug-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>	31.959
(<r²>)^1/2	5.653