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	hartrees
Energy at 0K	-305.865794
Energy at 298.15K	-305.871244
HF Energy	-304.973138
Nuclear repulsion energy	261.349667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3077	0.65
2	A₁	3266	3065	11.50
3	A₁	3244	3045	0.01
4	A₁	1673	1570	71.80
5	A₁	1500	1408	0.47
6	A₁	1479	1389	30.14
7	A₁	1200	1126	10.33
8	A₁	1051	987	0.00
9	A₁	993	932	0.00
10	A₁	813	763	11.30
11	A₁	543	510	2.01
12	A₂	1004	942	0.00
13	A₂	841	790	0.00
14	A₂	394	369	0.00
15	B₁	981	921	4.18
16	B₁	933	876	14.90
17	B₁	784	736	69.67
18	B₁	644	604	15.43
19	B₁	475	445	0.09
20	B₁	191	180	3.70
21	B₂	3277	3076	5.21
22	B₂	3250	3051	8.70
23	B₂	1637	1536	12.62
24	B₂	1495	1403	0.18
25	B₂	1348	1265	0.00
26	B₂	1299	1220	16.78
27	B₂	1171	1099	6.60
28	B₂	1141	1071	9.76
29	B₂	611	574	0.77
30	B₂	462	433	8.13

Atom	y (Å)	z (Å)
C1	0.000	1.047
C2	1.240	0.285
C3	-1.240	0.285
C4	1.222	-1.076
C5	-1.222	-1.076
C6	0.000	-1.772
O7	0.000	2.282
H8	2.163	0.856
H9	-2.163	0.856
H10	2.153	-1.637
H11	-2.153	-1.637
H12	0.000	-2.857

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4556	1.4556	2.4505	2.4505	2.8190	1.2348	2.1717	2.1717	3.4411	3.4411	3.9046
C2	1.4556		2.4805	1.3619	2.8142	2.4020	2.3506	1.0851	3.4510	2.1281	3.8998	3.3785
C3	1.4556	2.4805		2.8142	1.3619	2.4020	2.3506	3.4510	1.0851	3.8998	2.1281	3.3785
C4	2.4505	1.3619	2.8142		2.4450	1.4063	3.5742	2.1492	3.8983	1.0862	3.4215	2.1600
C5	2.4505	2.8142	1.3619	2.4450		1.4063	3.5742	3.8983	2.1492	3.4215	1.0862	2.1600
C6	2.8190	2.4020	2.4020	1.4063	1.4063		4.0538	3.4035	3.4035	2.1570	2.1570	1.0856
O7	1.2348	2.3506	2.3506	3.5742	3.5742	4.0538		2.5911	2.5911	4.4717	4.4717	5.1394
H8	2.1717	1.0851	3.4510	2.1492	3.8983	3.4035	2.5911		4.3265	2.4931	4.9843	4.2973
H9	2.1717	3.4510	1.0851	3.8983	2.1492	3.4035	2.5911	4.3265		4.9843	2.4931	4.2973
H10	3.4411	2.1281	3.8998	1.0862	3.4215	2.1570	4.4717	2.4931	4.9843		4.3056	2.4745
H11	3.4411	3.8998	2.1281	3.4215	1.0862	2.1570	4.4717	4.9843	2.4931	4.3056		2.4745
H12	3.9046	3.3785	3.3785	2.1600	2.1600	1.0856	5.1394	4.2973	4.2973	2.4745	2.4745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.820	C1	C2	H8	116.713
C1	C3	C5	120.820	C1	C3	H9	116.713
C2	C1	C3	116.866	C2	C1	O7	121.567
C2	C4	C6	120.372	C2	C4	H10	120.331
C3	C1	O7	121.567	C3	C5	C6	120.372
C3	C5	H11	120.331	C4	C2	H8	122.468
C4	C6	C5	120.750	C4	C6	H12	119.625
C5	C3	H9	122.468	C5	C6	H12	119.625
C6	C4	H10	119.297	C6	C5	H11	119.297

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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