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	hartrees
Energy at 0K	-304.807197
Energy at 298.15K	-304.812838
HF Energy	-304.807197
Nuclear repulsion energy	260.055848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3136	0.86
2	A₁	3240	3121	8.08
3	A₁	3218	3100	0.07
4	A₁	1603	1545	30.30
5	A₁	1492	1437	5.78
6	A₁	1347	1298	4.14
7	A₁	1197	1153	4.37
8	A₁	1032	994	0.48
9	A₁	1019	981	0.00
10	A₁	829	798	3.98
11	A₁	550	530	1.15
12	A₂	1042	1004	0.00
13	A₂	861	829	0.00
14	A₂	403	388	0.00
15	B₁	1066	1027	1.15
16	B₁	985	948	16.06
17	B₁	844	813	39.70
18	B₁	699	673	71.70
19	B₁	516	497	2.93
20	B₁	218	210	1.28
21	B₂	3251	3132	4.41
22	B₂	3225	3107	5.42
23	B₂	1572	1515	8.47
24	B₂	1477	1422	3.66
25	B₂	1368	1317	5.12
26	B₂	1308	1260	6.45
27	B₂	1218	1173	0.58
28	B₂	1111	1070	11.43
29	B₂	629	606	0.16
30	B₂	434	418	4.70

Atom	y (Å)	z (Å)
C1	0.000	1.040
C2	1.225	0.286
C3	-1.225	0.286
C4	1.219	-1.091
C5	-1.219	-1.091
C6	0.000	-1.790
O7	0.000	2.327
H8	2.149	0.850
H9	-2.149	0.850
H10	2.152	-1.643
H11	-2.152	-1.643
H12	0.000	-2.874

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4380	1.4380	2.4548	2.4548	2.8295	1.2868	2.1579	2.1579	3.4393	3.4393	3.9136
C2	1.4380		2.4491	1.3771	2.8045	2.4100	2.3799	1.0830	3.4207	2.1405	3.8886	3.3887
C3	1.4380	2.4491		2.8045	1.3771	2.4100	2.3799	3.4207	1.0830	3.8886	2.1405	3.3887
C4	2.4548	1.3771	2.8045		2.4371	1.4046	3.6285	2.1523	3.8871	1.0843	3.4152	2.1593
C5	2.4548	2.8045	1.3771	2.4371		1.4046	3.6285	3.8871	2.1523	3.4152	1.0843	2.1593
C6	2.8295	2.4100	2.4100	1.4046	1.4046		4.1163	3.4037	3.4037	2.1567	2.1567	1.0841
O7	1.2868	2.3799	2.3799	3.6285	3.6285	4.1163		2.6082	2.6082	4.5156	4.5156	5.2004
H8	2.1579	1.0830	3.4207	2.1523	3.8871	3.4037	2.6082		4.2990	2.4927	4.9713	4.2991
H9	2.1579	3.4207	1.0830	3.8871	2.1523	3.4037	2.6082	4.2990		4.9713	2.4927	4.2991
H10	3.4393	2.1405	3.8886	1.0843	3.4152	2.1567	4.5156	2.4927	4.9713		4.3034	2.4787
H11	3.4393	3.8886	2.1405	3.4152	1.0843	2.1567	4.5156	4.9713	2.4927	4.3034		2.4787
H12	3.9136	3.3887	3.3887	2.1593	2.1593	1.0841	5.2004	4.2991	4.2991	2.4787	2.4787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.369	C1	C2	H8	117.035
C1	C3	C5	121.369	C1	C3	H9	117.035
C2	C1	C3	116.763	C2	C1	O7	121.618
C2	C4	C6	120.074	C2	C4	H10	120.365
C3	C1	O7	121.618	C3	C5	C6	120.074
C3	C5	H11	120.365	C4	C2	H8	121.595
C4	C6	C5	120.351	C4	C6	H12	119.825
C5	C3	H9	121.595	C5	C6	H12	119.825
C6	C4	H10	119.562	C6	C5	H11	119.562

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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