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	hartrees
Energy at 0K	-305.897729
Energy at 298.15K	-305.903215
HF Energy	-304.973024
Nuclear repulsion energy	261.575483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3077	0.62
2	A₁	3267	3065	11.44
3	A₁	3245	3045	0.01
4	A₁	1676	1573	71.95
5	A₁	1503	1411	0.74
6	A₁	1482	1391	29.80
7	A₁	1202	1127	10.23
8	A₁	1053	988	0.00
9	A₁	994	933	0.00
10	A₁	814	764	11.34
11	A₁	544	511	2.02
12	A₂	1013	951	0.00
13	A₂	849	796	0.00
14	A₂	398	373	0.00
15	B₁	989	928	3.36
16	B₁	943	885	15.88
17	B₁	796	747	66.21
18	B₁	654	614	18.56
19	B₁	483	453	0.08
20	B₁	194	182	3.72
21	B₂	3278	3075	5.16
22	B₂	3251	3051	8.58
23	B₂	1639	1538	12.57
24	B₂	1497	1405	0.21
25	B₂	1350	1267	0.00
26	B₂	1301	1221	16.59
27	B₂	1172	1100	6.53
28	B₂	1143	1072	10.08
29	B₂	613	575	0.77
30	B₂	463	434	8.07

Atom	y (Å)	z (Å)
C1	0.000	1.040
C2	1.235	0.286
C3	-1.235	0.286
C4	1.218	-1.074
C5	-1.218	-1.074
C6	0.000	-1.766
O7	0.000	2.277
H8	2.160	0.851
H9	-2.160	0.851
H10	2.150	-1.630
H11	-2.150	-1.630
H12	0.000	-2.850

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4469	1.4469	2.4390	2.4390	2.8059	1.2375	2.1679	2.1679	3.4272	3.4272	3.8900
C2	1.4469		2.4704	1.3597	2.8047	2.3953	2.3431	1.0834	3.4416	2.1227	3.8893	3.3709
C3	1.4469	2.4704		2.8047	1.3597	2.3953	2.3431	3.4416	1.0834	3.8893	2.1227	3.3709
C4	2.4390	1.3597	2.8047		2.4357	1.4011	3.5652	2.1427	3.8874	1.0850	3.4130	2.1541
C5	2.4390	2.8047	1.3597	2.4357		1.4011	3.5652	3.8874	2.1427	3.4130	1.0850	2.1541
C6	2.8059	2.3953	2.3953	1.4011	1.4011		4.0434	3.3933	3.3933	2.1538	2.1538	1.0841
O7	1.2375	2.3431	2.3431	3.5652	3.5652	4.0434		2.5881	2.5881	4.4591	4.4591	5.1275
H8	2.1679	1.0834	3.4416	2.1427	3.8874	3.3933	2.5881		4.3194	2.4807	4.9722	4.2854
H9	2.1679	3.4416	1.0834	3.8874	2.1427	3.3933	2.5881	4.3194		4.9722	2.4807	4.2854
H10	3.4272	2.1227	3.8893	1.0850	3.4130	2.1538	4.4591	2.4807	4.9722		4.2990	2.4719
H11	3.4272	3.8893	2.1227	3.4130	1.0850	2.1538	4.4591	4.9722	2.4807	4.2990		2.4719
H12	3.8900	3.3709	3.3709	2.1541	2.1541	1.0841	5.1275	4.2854	4.2854	2.4719	2.4719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.656	C1	C2	H8	117.185
C1	C3	C5	120.656	C1	C3	H9	117.185
C2	C1	C3	117.227	C2	C1	O7	121.387
C2	C4	C6	120.360	C2	C4	H10	120.103
C3	C1	O7	121.387	C3	C5	C6	120.360
C3	C5	H11	120.103	C4	C2	H8	122.160
C4	C6	C5	120.742	C4	C6	H12	119.629
C5	C3	H9	122.160	C5	C6	H12	119.629
C6	C4	H10	119.537	C6	C5	H11	119.537

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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