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	hartrees
Energy at 0K	-303.881449
Energy at 298.15K	-303.887095
HF Energy	-303.275767
Nuclear repulsion energy	259.366856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3069	1.12
2	A₁	3192	3053	10.64
3	A₁	3169	3031	0.00
4	A₁	1600	1530	33.22
5	A₁	1498	1432	1.64
6	A₁	1275	1220	8.94
7	A₁	1147	1097	42.15
8	A₁	1035	990	1.63
9	A₁	977	935	13.11
10	A₁	813	778	12.48
11	A₁	554	530	0.03
12	A₂	1039	994	0.00
13	A₂	882	843	0.00
14	A₂	424	406	0.00
15	B₁	1023	978	0.45
16	B₁	974	932	16.23
17	B₁	839	803	48.56
18	B₁	705	674	52.63
19	B₁	523	500	2.36
20	B₁	226	216	1.75
21	B₂	3205	3065	8.14
22	B₂	3177	3039	6.50
23	B₂	1588	1519	11.81
24	B₂	1487	1423	0.29
25	B₂	1358	1299	0.09
26	B₂	1263	1208	5.20
27	B₂	1158	1108	2.41
28	B₂	1115	1067	18.75
29	B₂	642	614	0.05
30	B₂	441	422	6.20

Atom	y (Å)	z (Å)
C1	0.000	1.039
C2	1.230	0.286
C3	-1.230	0.286
C4	1.222	-1.091
C5	-1.222	-1.091
C6	0.000	-1.793
O7	0.000	2.333
H8	2.160	0.850
H9	-2.160	0.850
H10	2.159	-1.646
H11	-2.159	-1.646
H12	0.000	-2.881

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4425	1.4425	2.4557	2.4557	2.8317	1.2938	2.1680	2.1680	3.4451	3.4451	3.9201
C2	1.4425		2.4602	1.3767	2.8122	2.4151	2.3883	1.0873	3.4364	2.1432	3.9006	3.3973
C3	1.4425	2.4602		2.8122	1.3767	2.4151	2.3883	3.4364	1.0873	3.9006	2.1432	3.3973
C4	2.4557	1.3767	2.8122		2.4442	1.4092	3.6354	2.1552	3.8990	1.0886	3.4260	2.1675
C5	2.4557	2.8122	1.3767	2.4442		1.4092	3.6354	3.8990	2.1552	3.4260	1.0886	2.1675
C6	2.8317	2.4151	2.4151	1.4092	1.4092		4.1255	3.4126	3.4126	2.1637	2.1637	1.0884
O7	1.2938	2.3883	2.3883	3.6354	3.6354	4.1255		2.6200	2.6200	4.5266	4.5266	5.2139
H8	2.1680	1.0873	3.4364	2.1552	3.8990	3.4126	2.6200		4.3194	2.4955	4.9876	4.3107
H9	2.1680	3.4364	1.0873	3.8990	2.1552	3.4126	2.6200	4.3194		4.9876	2.4955	4.3107
H10	3.4451	2.1432	3.9006	1.0886	3.4260	2.1637	4.5266	2.4955	4.9876		4.3174	2.4871
H11	3.4451	3.9006	2.1432	3.4260	1.0886	2.1637	4.5266	4.9876	2.4955	4.3174		2.4871
H12	3.9201	3.3973	3.3973	2.1675	2.1675	1.0884	5.2139	4.3107	4.3107	2.4871	2.4871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.152	C1	C2	H8	117.273
C1	C3	C5	121.152	C1	C3	H9	117.273
C2	C1	C3	117.029	C2	C1	O7	121.485
C2	C4	C6	120.196	C2	C4	H10	120.314
C3	C1	O7	121.485	C3	C5	C6	120.196
C3	C5	H11	120.314	C4	C2	H8	121.575
C4	C6	C5	120.274	C4	C6	H12	119.863
C5	C3	H9	121.575	C5	C6	H12	119.863
C6	C4	H10	119.490	C6	C5	H11	119.490

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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