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	hartrees
Energy at 0K	-306.497148
Energy at 298.15K	-306.502554
Nuclear repulsion energy	260.550956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3089	0.96
2	A₁	3237	3078	15.85
3	A₁	3215	3058	0.51
4	A₁	1621	1541	37.83
5	A₁	1517	1442	11.21
6	A₁	1442	1372	1.44
7	A₁	1176	1119	0.64
8	A₁	1028	978	0.12
9	A₁	988	939	1.27
10	A₁	821	781	2.49
11	A₁	530	504	2.01
12	A₂	980	932	0.00
13	A₂	809	769	0.00
14	A₂	379	360	0.00
15	B₁	999	950	0.22
16	B₁	925	879	8.90
17	B₁	799	760	43.70
18	B₁	658	626	34.63
19	B₁	485	461	0.37
20	B₁	195	185	2.39
21	B₂	3246	3087	8.96
22	B₂	3222	3064	9.33
23	B₂	1579	1501	4.69
24	B₂	1468	1396	3.86
25	B₂	1371	1303	9.57
26	B₂	1300	1237	4.08
27	B₂	1178	1121	1.05
28	B₂	1104	1050	7.61
29	B₂	598	569	0.63
30	B₂	445	423	5.37

Atom	y (Å)	z (Å)
C1	0.000	1.045
C2	1.236	0.290
C3	-1.236	0.290
C4	1.223	-1.085
C5	-1.223	-1.085
C6	0.000	-1.780
O7	0.000	2.298
H8	2.161	0.859
H9	-2.161	0.859
H10	2.155	-1.642
H11	-2.155	-1.642
H12	0.000	-2.867

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4481	1.4481	2.4558	2.4558	2.8254	1.2529	2.1687	2.1687	3.4449	3.4449	3.9116
C2	1.4481		2.4718	1.3753	2.8170	2.4115	2.3575	1.0858	3.4439	2.1402	3.9033	3.3902
C3	1.4481	2.4718		2.8170	1.3753	2.4115	2.3575	3.4439	1.0858	3.9033	2.1402	3.3902
C4	2.4558	1.3753	2.8170		2.4452	1.4066	3.5969	2.1586	3.9021	1.0866	3.4235	2.1609
C5	2.4558	2.8170	1.3753	2.4452		1.4066	3.5969	3.9021	2.1586	3.4235	1.0866	2.1609
C6	2.8254	2.4115	2.4115	1.4066	1.4066		4.0783	3.4112	3.4112	2.1597	2.1597	1.0862
O7	1.2529	2.3575	2.3575	3.5969	3.5969	4.0783		2.5959	2.5959	4.4912	4.4912	5.1645
H8	2.1687	1.0858	3.4439	2.1586	3.9021	3.4112	2.5959		4.3214	2.5016	4.9885	4.3070
H9	2.1687	3.4439	1.0858	3.9021	2.1586	3.4112	2.5959	4.3214		4.9885	2.5016	4.3070
H10	3.4449	2.1402	3.9033	1.0866	3.4235	2.1597	4.4912	2.5016	4.9885		4.3105	2.4787
H11	3.4449	3.9033	2.1402	3.4235	1.0866	2.1597	4.4912	4.9885	2.5016	4.3105		2.4787
H12	3.9116	3.3902	3.3902	2.1609	2.1609	1.0862	5.1645	4.3070	4.3070	2.4787	2.4787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.852	C1	C2	H8	116.996
C1	C3	C5	120.852	C1	C3	H9	116.996
C2	C1	C3	117.185	C2	C1	O7	121.408
C2	C4	C6	120.191	C2	C4	H10	120.315
C3	C1	O7	121.408	C3	C5	C6	120.191
C3	C5	H11	120.315	C4	C2	H8	122.152
C4	C6	C5	120.729	C4	C6	H12	119.636
C5	C3	H9	122.152	C5	C6	H12	119.636
C6	C4	H10	119.494	C6	C5	H11	119.494

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

using model chemistry: HSEh1PBE/6-31G*

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	0.399
2	C	-0.191
3	C	-0.191
4	C	-0.163
5	C	-0.163
6	C	-0.154
7	O	-0.473
8	H	0.192
9	H	0.192
10	H	0.183
11	H	0.183
12	H	0.185

<r²>	177.627
(<r²>)^1/2	13.328

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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