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	hartrees
Energy at 0K	-305.909886
Energy at 298.15K	-305.915329
HF Energy	-304.982286
Nuclear repulsion energy	261.250883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3095	1.05
2	A₁	3289	3084	13.66
3	A₁	3267	3063	0.02
4	A₁	1669	1565	65.71
5	A₁	1503	1410	3.28
6	A₁	1486	1393	20.06
7	A₁	1193	1119	8.81
8	A₁	1045	980	0.03
9	A₁	989	927	0.02
10	A₁	808	757	8.74
11	A₁	540	506	2.01
12	A₂	1014	951	0.00
13	A₂	839	787	0.00
14	A₂	388	364	0.00
15	B₁	992	930	3.77
16	B₁	933	875	11.39
17	B₁	781	733	64.68
18	B₁	638	598	11.33
19	B₁	467	438	0.03
20	B₁	187	175	3.72
21	B₂	3299	3093	8.28
22	B₂	3274	3069	9.64
23	B₂	1633	1531	10.77
24	B₂	1496	1403	0.00
25	B₂	1347	1263	0.00
26	B₂	1299	1218	18.57
27	B₂	1163	1090	6.22
28	B₂	1136	1065	7.04
29	B₂	608	570	0.72
30	B₂	460	432	8.24

Atom	y (Å)	z (Å)
C1	0.000	1.050
C2	1.241	0.285
C3	-1.241	0.285
C4	1.223	-1.078
C5	-1.223	-1.078
C6	0.000	-1.774
O7	0.000	2.284
H8	2.161	0.852
H9	-2.161	0.852
H10	2.150	-1.636
H11	-2.150	-1.636
H12	0.000	-2.855

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4578	1.4578	2.4542	2.4542	2.8239	1.2343	2.1703	2.1703	3.4401	3.4401	3.9051
C2	1.4578		2.4823	1.3631	2.8160	2.4043	2.3530	1.0808	3.4494	2.1250	3.8972	3.3767
C3	1.4578	2.4823		2.8160	1.3631	2.4043	2.3530	3.4494	1.0808	3.8972	2.1250	3.3767
C4	2.4542	1.3631	2.8160		2.4461	1.4073	3.5776	2.1458	3.8959	1.0817	3.4186	2.1575
C5	2.4542	2.8160	1.3631	2.4461		1.4073	3.5776	3.8959	2.1458	3.4186	1.0817	2.1575
C6	2.8239	2.4043	2.4043	1.4073	1.4073		4.0583	3.4011	3.4011	2.1542	2.1542	1.0811
O7	1.2343	2.3530	2.3530	3.5776	3.5776	4.0583		2.5927	2.5927	4.4708	4.4708	5.1394
H8	2.1703	1.0808	3.4494	2.1458	3.8959	3.4011	2.5927		4.3226	2.4879	4.9774	4.2913
H9	2.1703	3.4494	1.0808	3.8959	2.1458	3.4011	2.5927	4.3226		4.9774	2.4879	4.2913
H10	3.4401	2.1250	3.8972	1.0817	3.4186	2.1542	4.4708	2.4879	4.9774		4.2994	2.4715
H11	3.4401	3.8972	2.1250	3.4186	1.0817	2.1542	4.4708	4.9774	2.4879	4.2994		2.4715
H12	3.9051	3.3767	3.3767	2.1575	2.1575	1.0811	5.1394	4.2913	4.2913	2.4715	2.4715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.878	C1	C2	H8	116.722
C1	C3	C5	120.878	C1	C3	H9	116.722
C2	C1	C3	116.722	C2	C1	O7	121.639
C2	C4	C6	120.413	C2	C4	H10	120.295
C3	C1	O7	121.639	C3	C5	C6	120.413
C3	C5	H11	120.295	C4	C2	H8	122.400
C4	C6	C5	120.697	C4	C6	H12	119.652
C5	C3	H9	122.400	C5	C6	H12	119.652
C6	C4	H10	119.292	C6	C5	H11	119.292

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

using model chemistry: CCD/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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All results from a given calculation for C6H5O (phenoxy radical)

using model chemistry: CCD/6-31G**

States and conformations

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