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	hartrees
Energy at 0K	-306.791716
Energy at 298.15K	-306.797179
HF Energy	-306.791716
Nuclear repulsion energy	260.994684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3086	3.68
2	A₁	3216	3076	11.13
3	A₁	3196	3057	0.57
4	A₁	1612	1541	50.07
5	A₁	1516	1451	16.22
6	A₁	1438	1376	2.10
7	A₁	1171	1120	0.38
8	A₁	1018	973	0.29
9	A₁	987	944	2.16
10	A₁	810	775	1.98
11	A₁	534	511	2.36
12	A₂	1002	959	0.00
13	A₂	812	776	0.00
14	A₂	382	366	0.00
15	B₁	1009	965	0.45
16	B₁	933	893	11.30
17	B₁	805	770	41.75
18	B₁	655	626	48.31
19	B₁	487	466	0.66
20	B₁	189	181	2.34
21	B₂	3222	3082	9.41
22	B₂	3202	3063	6.30
23	B₂	1566	1498	5.49
24	B₂	1453	1390	3.32
25	B₂	1335	1277	7.44
26	B₂	1283	1227	7.38
27	B₂	1165	1114	2.25
28	B₂	1099	1051	10.77
29	B₂	599	573	0.70
30	B₂	451	431	5.19

Atom	y (Å)	z (Å)
C1	0.000	1.046
C2	1.236	0.289
C3	-1.236	0.289
C4	1.220	-1.081
C5	-1.220	-1.081
C6	0.000	-1.776
O7	0.000	2.290
H8	2.161	0.851
H9	-2.161	0.851
H10	2.151	-1.636
H11	-2.151	-1.636
H12	0.000	-2.859

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4494	1.4494	2.4523	2.4523	2.8223	1.2435	2.1695	2.1695	3.4384	3.4384	3.9053
C2	1.4494		2.4712	1.3699	2.8116	2.4061	2.3519	1.0828	3.4426	2.1315	3.8953	3.3815
C3	1.4494	2.4712		2.8116	1.3699	2.4061	2.3519	3.4426	1.0828	3.8953	2.1315	3.3815
C4	2.4523	1.3699	2.8116		2.4395	1.4037	3.5849	2.1495	3.8939	1.0840	3.4159	2.1560
C5	2.4523	2.8116	1.3699	2.4395		1.4037	3.5849	3.8939	2.1495	3.4159	1.0840	2.1560
C6	2.8223	2.4061	2.4061	1.4037	1.4037		4.0658	3.4018	3.4018	2.1553	2.1553	1.0830
O7	1.2435	2.3519	2.3519	3.5849	3.5849	4.0658		2.5957	2.5957	4.4767	4.4767	5.1489
H8	2.1695	1.0828	3.4426	2.1495	3.8939	3.4018	2.5957		4.3214	2.4878	4.9777	4.2937
H9	2.1695	3.4426	1.0828	3.8939	2.1495	3.4018	2.5957	4.3214		4.9777	2.4878	4.2937
H10	3.4384	2.1315	3.8953	1.0840	3.4159	2.1553	4.4767	2.4878	4.9777		4.3015	2.4740
H11	3.4384	3.8953	2.1315	3.4159	1.0840	2.1553	4.4767	4.9777	2.4878	4.3015		2.4740
H12	3.9053	3.3815	3.3815	2.1560	2.1560	1.0830	5.1489	4.2937	4.2937	2.4740	2.4740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.852	C1	C2	H8	117.172
C1	C3	C5	120.852	C1	C3	H9	117.172
C2	C1	C3	116.969	C2	C1	O7	121.516
C2	C4	C6	120.331	C2	C4	H10	120.144
C3	C1	O7	121.516	C3	C5	C6	120.331
C3	C5	H11	120.144	C4	C2	H8	121.976
C4	C6	C5	120.665	C4	C6	H12	119.668
C5	C3	H9	121.976	C5	C6	H12	119.668
C6	C4	H10	119.525	C6	C5	H11	119.525

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

using model chemistry: wB97X-D/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	0.177
2	C	-0.119
3	C	-0.119
4	C	-0.094
5	C	-0.094
6	C	-0.096
7	O	-0.307
8	H	0.137
9	H	0.137
10	H	0.124
11	H	0.124
12	H	0.130

<r²>	177.525
(<r²>)^1/2	13.324

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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