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	hartrees
Energy at 0K	-306.609924
Energy at 298.15K	-306.603529
HF Energy	-306.827642
Nuclear repulsion energy	259.859057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3095	0.40
2	A₁	3210	3083	20.47
3	A₁	3188	3062	0.64
4	A₁	1603	1540	34.04
5	A₁	1499	1439	14.85
6	A₁	1433	1376	0.00
7	A₁	1175	1129	0.44
8	A₁	1018	978	0.02
9	A₁	986	947	1.84
10	A₁	811	778	2.04
11	A₁	531	510	2.16
12	A₂	975	936	0.00
13	A₂	808	776	0.00
14	A₂	381	365	0.00
15	B₁	995	956	0.16
16	B₁	922	886	7.60
17	B₁	796	765	38.74
18	B₁	658	632	28.10
19	B₁	486	467	0.18
20	B₁	196	188	2.57
21	B₂	3221	3093	11.71
22	B₂	3195	3068	12.02
23	B₂	1564	1502	3.82
24	B₂	1458	1400	3.18
25	B₂	1352	1299	7.49
26	B₂	1289	1238	5.76
27	B₂	1176	1129	0.98
28	B₂	1098	1055	7.16
29	B₂	598	574	0.60
30	B₂	444	427	5.18

Atom	y (Å)	z (Å)
C1	0.000	1.048
C2	1.240	0.290
C3	-1.240	0.290
C4	1.226	-1.088
C5	-1.226	-1.088
C6	0.000	-1.785
O7	0.000	2.306
H8	2.165	0.858
H9	-2.165	0.858
H10	2.158	-1.646
H11	-2.158	-1.646
H12	0.000	-2.872

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4527	1.4527	2.4625	2.4625	2.8333	1.2580	2.1731	2.1731	3.4518	3.4518	3.9197
C2	1.4527		2.4790	1.3784	2.8242	2.4177	2.3662	1.0858	3.4514	2.1432	3.9107	3.3964
C3	1.4527	2.4790		2.8242	1.3784	2.4177	2.3662	3.4514	1.0858	3.9107	2.1432	3.3964
C4	2.4625	1.3784	2.8242		2.4511	1.4101	3.6084	2.1611	3.9094	1.0868	3.4294	2.1643
C5	2.4625	2.8242	1.3784	2.4511		1.4101	3.6084	3.9094	2.1611	3.4294	1.0868	2.1643
C6	2.8333	2.4177	2.4177	1.4101	1.4101		4.0913	3.4170	3.4170	2.1627	2.1627	1.0864
O7	1.2580	2.3662	2.3662	3.6084	3.6084	4.0913		2.6042	2.6042	4.5029	4.5029	5.1777
H8	2.1731	1.0858	3.4514	2.1611	3.9094	3.4170	2.6042		4.3297	2.5044	4.9961	4.3129
H9	2.1731	3.4514	1.0858	3.9094	2.1611	3.4170	2.6042	4.3297		4.9961	2.5044	4.3129
H10	3.4518	2.1432	3.9107	1.0868	3.4294	2.1627	4.5029	2.5044	4.9961		4.3163	2.4820
H11	3.4518	3.9107	2.1432	3.4294	1.0868	2.1627	4.5029	4.9961	2.5044	4.3163		2.4820
H12	3.9197	3.3964	3.3964	2.1643	2.1643	1.0864	5.1777	4.3129	4.3129	2.4820	2.4820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.860	C1	C2	H8	117.007
C1	C3	C5	120.860	C1	C3	H9	117.007
C2	C1	C3	117.128	C2	C1	O7	121.436
C2	C4	C6	120.215	C2	C4	H10	120.323
C3	C1	O7	121.436	C3	C5	C6	120.215
C3	C5	H11	120.323	C4	C2	H8	122.133
C4	C6	C5	120.723	C4	C6	H12	119.639
C5	C3	H9	122.133	C5	C6	H12	119.639
C6	C4	H10	119.461	C6	C5	H11	119.461

All results from a given calculation for C₆H₅O (phenoxy radical)

using model chemistry: G3B3

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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Number	Element	Mulliken
1	C	0.405
2	C	-0.158
3	C	-0.158
4	C	-0.125
5	C	-0.125
6	C	-0.119
7	O	-0.477
8	H	0.156
9	H	0.156
10	H	0.147
11	H	0.147
12	H	0.150

<r²>	178.604
(<r²>)^1/2	13.364

All results from a given calculation for C6H5O (phenoxy radical)

using model chemistry: G3B3

States and conformations

All results from a given calculation for C₆H₅O (phenoxy radical)