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	hartrees
Energy at 0K	-304.999922
Energy at 298.15K	-305.005860
HF Energy	-304.999922
Nuclear repulsion energy	262.300229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3378	2890	3.56
2	A₁	3363	2877	28.77
3	A₁	3340	2857	0.34
4	A₁	1765	1510	25.97
5	A₁	1631	1396	2.11
6	A₁	1312	1122	12.20
7	A₁	1247	1067	18.24
8	A₁	1110	950	2.44
9	A₁	1088	931	0.07
10	A₁	899	769	1.09
11	A₁	570	487	0.01
12	A₂	1099	940	0.00
13	A₂	942	806	0.00
14	A₂	437	374	0.00
15	B₁	1117	956	0.02
16	B₁	1056	904	6.98
17	B₁	860	736	68.75
18	B₁	754	645	42.67
19	B₁	545	467	3.37
20	B₁	258	221	0.85
21	B₂	3374	2887	26.10
22	B₂	3353	2869	9.85
23	B₂	1766	1511	0.94
24	B₂	1604	1372	6.88
25	B₂	1442	1234	0.24
26	B₂	1329	1137	5.92
27	B₂	1203	1029	16.37
28	B₂	1159	992	0.00
29	B₂	673	576	0.02
30	B₂	454	389	3.79

Atom	y (Å)	z (Å)
C1	0.000	0.991
C2	1.207	0.297
C3	-1.207	0.297
C4	1.205	-1.085
C5	-1.205	-1.085
C6	0.000	-1.773
O7	0.000	2.317
H8	2.124	0.857
H9	-2.124	0.857
H10	2.134	-1.626
H11	-2.134	-1.626
H12	0.000	-2.848

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.3926	1.3926	2.4005	2.4005	2.7638	1.3262	2.1279	2.1279	3.3767	3.3767	3.8391
C2	1.3926		2.4141	1.3815	2.7799	2.3956	2.3538	1.0744	3.3775	2.1342	3.8545	3.3683
C3	1.3926	2.4141		2.7799	1.3815	2.3956	2.3538	3.3775	1.0744	3.8545	2.1342	3.3683
C4	2.4005	1.3815	2.7799		2.4105	1.3876	3.6094	2.1481	3.8539	1.0747	3.3826	2.1356
C5	2.4005	2.7799	1.3815	2.4105		1.3876	3.6094	3.8539	2.1481	3.3826	1.0747	2.1356
C6	2.7638	2.3956	2.3956	1.3876	1.3876		4.0900	3.3801	3.3801	2.1389	2.1389	1.0753
O7	1.3262	2.3538	2.3538	3.6094	3.6094	4.0900		2.5774	2.5774	4.4836	4.4836	5.1653
H8	2.1279	1.0744	3.3775	2.1481	3.8539	3.3801	2.5774		4.2474	2.4829	4.9286	4.2705
H9	2.1279	3.3775	1.0744	3.8539	2.1481	3.3801	2.5774	4.2474		4.9286	2.4829	4.2705
H10	3.3767	2.1342	3.8545	1.0747	3.3826	2.1389	4.4836	2.4829	4.9286		4.2677	2.4591
H11	3.3767	3.8545	2.1342	3.3826	1.0747	2.1389	4.4836	4.9286	2.4829	4.2677		2.4591
H12	3.8391	3.3683	3.3683	2.1356	2.1356	1.0753	5.1653	4.2705	4.2705	2.4591	2.4591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.842	C1	C2	H8	118.645
C1	C3	C5	119.842	C1	C3	H9	118.645
C2	C1	C3	120.166	C2	C1	O7	119.917
C2	C4	C6	119.785	C2	C4	H10	120.147
C3	C1	O7	119.917	C3	C5	C6	119.785
C3	C5	H11	120.147	C4	C2	H8	121.513
C4	C6	C5	120.580	C4	C6	H12	119.710
C5	C3	H9	121.513	C5	C6	H12	119.710
C6	C4	H10	120.068	C6	C5	H11	120.068

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

using model chemistry: ROHF/6-311G*

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	0.219
2	C	-0.211
3	C	-0.211
4	C	-0.232
5	C	-0.232
6	C	-0.189
7	O	-0.313
8	H	0.243
9	H	0.243
10	H	0.227
11	H	0.227
12	H	0.229

<r²>	175.979
(<r²>)^1/2	13.266

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

using model chemistry: ROHF/6-311G*

States and conformations

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