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	hartrees
Energy at 0K	-306.934562
Energy at 298.15K	-306.939917
HF Energy	-306.934562
Nuclear repulsion energy	260.676681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3094	1.20
2	A₁	3194	3084	11.87
3	A₁	3173	3063	0.68
4	A₁	1588	1533	37.95
5	A₁	1479	1427	24.47
6	A₁	1419	1370	0.81
7	A₁	1171	1131	0.27
8	A₁	1012	977	0.20
9	A₁	989	955	2.45
10	A₁	806	778	1.84
11	A₁	534	516	2.31
12	A₂	971	937	0.00
13	A₂	799	772	0.00
14	A₂	375	362	0.00
15	B₁	953	920	3.26
16	B₁	914	882	4.75
17	B₁	766	739	63.23
18	B₁	617	596	25.62
19	B₁	455	439	0.19
20	B₁	181	175	2.66
21	B₂	3202	3091	6.74
22	B₂	3179	3069	8.05
23	B₂	1548	1495	4.17
24	B₂	1448	1398	3.76
25	B₂	1341	1294	5.48
26	B₂	1277	1232	7.46
27	B₂	1171	1131	1.57
28	B₂	1094	1056	9.67
29	B₂	600	579	0.46
30	B₂	451	435	4.48

Atom	y (Å)	z (Å)
C1	0.000	1.045
C2	1.237	0.289
C3	-1.237	0.289
C4	1.221	-1.084
C5	-1.221	-1.084
C6	0.000	-1.780
O7	0.000	2.298
H8	2.160	0.853
H9	-2.160	0.853
H10	2.151	-1.640
H11	-2.151	-1.640
H12	0.000	-2.863

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4497	1.4497	2.4547	2.4547	2.8249	1.2532	2.1689	2.1689	3.4409	3.4409	3.9078
C2	1.4497		2.4735	1.3729	2.8155	2.4099	2.3597	1.0826	3.4438	2.1349	3.8986	3.3853
C3	1.4497	2.4735		2.8155	1.3729	2.4099	2.3597	3.4438	1.0826	3.8986	2.1349	3.3853
C4	2.4547	1.3729	2.8155		2.4429	1.4056	3.5963	2.1530	3.8975	1.0834	3.4181	2.1575
C5	2.4547	2.8155	1.3729	2.4429		1.4056	3.5963	3.8975	2.1530	3.4181	1.0834	2.1575
C6	2.8249	2.4099	2.4099	1.4056	1.4056		4.0781	3.4059	3.4059	2.1555	2.1555	1.0829
O7	1.2532	2.3597	2.3597	3.5963	3.5963	4.0781		2.5992	2.5992	4.4880	4.4880	5.1610
H8	2.1689	1.0826	3.4438	2.1530	3.8975	3.4059	2.5992		4.3209	2.4939	4.9808	4.2984
H9	2.1689	3.4438	1.0826	3.8975	2.1530	3.4059	2.5992	4.3209		4.9808	2.4939	4.2984
H10	3.4409	2.1349	3.8986	1.0834	3.4181	2.1555	4.4880	2.4939	4.9808		4.3021	2.4740
H11	3.4409	3.8986	2.1349	3.4181	1.0834	2.1555	4.4880	4.9808	2.4939	4.3021		2.4740
H12	3.9078	3.3853	3.3853	2.1575	2.1575	1.0829	5.1610	4.2984	4.2984	2.4740	2.4740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.814	C1	C2	H8	117.112
C1	C3	C5	120.814	C1	C3	H9	117.112
C2	C1	C3	117.095	C2	C1	O7	121.452
C2	C4	C6	120.300	C2	C4	H10	120.262
C3	C1	O7	121.452	C3	C5	C6	120.300
C3	C5	H11	120.262	C4	C2	H8	122.075
C4	C6	C5	120.678	C4	C6	H12	119.661
C5	C3	H9	122.075	C5	C6	H12	119.661
C6	C4	H10	119.438	C6	C5	H11	119.438

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

using model chemistry: B3LYP/TZVP

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	0.146
2	C	-0.162
3	C	-0.162
4	C	-0.058
5	C	-0.058
6	C	-0.116
7	O	-0.264
8	H	0.141
9	H	0.141
10	H	0.128
11	H	0.128
12	H	0.135

<r²>	178.410
(<r²>)^1/2	13.357

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

using model chemistry: B3LYP/TZVP

States and conformations

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