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	hartrees
Energy at 0K	-167.892568
Energy at 298.15K	-167.892518
HF Energy	-167.892568
Nuclear repulsion energy	52.306596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2038	2038	81.70
2	Σ	1316	1316	8.21
3	Π	609	609	14.79
3	Π	521	521	39.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.260
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.131

	N1	C2	O3
N1		1.2217	2.3911
C2	1.2217		1.1694
O3	2.3911	1.1694

Number	Element	Mulliken
1	N	-0.762
2	C	1.225
3	O	-0.463

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

using model chemistry: HSEh1PBE/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>	31.930
(<r²>)^1/2	5.651