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	hartrees
Energy at 0K	-305.823152
Energy at 298.15K	-305.828586
HF Energy	-304.971770
Nuclear repulsion energy	261.761456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3093	0.35
2	A₁	3270	3084	9.90
3	A₁	3248	3063	0.05
4	A₁	1721	1623	119.41
5	A₁	1543	1455	14.96
6	A₁	1491	1406	8.65
7	A₁	1208	1139	6.11
8	A₁	1055	995	0.12
9	A₁	986	929	0.83
10	A₁	791	746	10.28
11	A₁	541	510	3.64
12	A₂	1023	965	0.00
13	A₂	850	801	0.00
14	A₂	394	371	0.00
15	B₁	1004	947	4.82
16	B₁	948	894	19.47
17	B₁	793	748	66.48
18	B₁	648	611	15.75
19	B₁	468	441	0.01
20	B₁	180	170	4.18
21	B₂	3279	3092	3.58
22	B₂	3253	3068	7.76
23	B₂	1648	1554	12.51
24	B₂	1486	1402	0.56
25	B₂	1344	1268	0.42
26	B₂	1298	1224	15.87
27	B₂	1172	1105	7.22
28	B₂	1144	1079	14.01
29	B₂	603	568	1.08
30	B₂	460	434	7.63

Atom	y (Å)	z (Å)
C1	0.000	1.041
C2	1.234	0.283
C3	-1.234	0.283
C4	1.216	-1.071
C5	-1.216	-1.071
C6	0.000	-1.761
O7	0.000	2.273
H8	2.159	0.848
H9	-2.159	0.848
H10	2.147	-1.629
H11	-2.147	-1.629
H12	0.000	-2.845

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4485	1.4485	2.4371	2.4371	2.8018	1.2324	2.1674	2.1674	3.4259	3.4259	3.8860
C2	1.4485		2.4685	1.3539	2.7995	2.3874	2.3421	1.0836	3.4398	2.1182	3.8843	3.3626
C3	1.4485	2.4685		2.7995	1.3539	2.3874	2.3421	3.4398	1.0836	3.8843	2.1182	3.3626
C4	2.4371	1.3539	2.7995		2.4325	1.3983	3.5585	2.1379	3.8824	1.0852	3.4094	2.1510
C5	2.4371	2.7995	1.3539	2.4325		1.3983	3.5585	3.8824	2.1379	3.4094	1.0852	2.1510
C6	2.8018	2.3874	2.3874	1.3983	1.3983		4.0341	3.3861	3.3861	2.1514	2.1514	1.0842
O7	1.2324	2.3421	2.3421	3.5585	3.5585	4.0341		2.5869	2.5869	4.4536	4.4536	5.1184
H8	2.1674	1.0836	3.4398	2.1379	3.8824	3.3861	2.5869		4.3176	2.4764	4.9674	4.2777
H9	2.1674	3.4398	1.0836	3.8824	2.1379	3.3861	2.5869	4.3176		4.9674	2.4764	4.2777
H10	3.4259	2.1182	3.8843	1.0852	3.4094	2.1514	4.4536	2.4764	4.9674		4.2946	2.4680
H11	3.4259	3.8843	2.1182	3.4094	1.0852	2.1514	4.4536	4.9674	2.4764	4.2946		2.4680
H12	3.8860	3.3626	3.3626	2.1510	2.1510	1.0842	5.1184	4.2777	4.2777	2.4680	2.4680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.797	C1	C2	H8	117.006
C1	C3	C5	120.797	C1	C3	H9	117.006
C2	C1	C3	116.881	C2	C1	O7	121.560
C2	C4	C6	120.325	C2	C4	H10	120.150
C3	C1	O7	121.560	C3	C5	C6	120.325
C3	C5	H11	120.150	C4	C2	H8	122.196
C4	C6	C5	120.874	C4	C6	H12	119.563
C5	C3	H9	122.196	C5	C6	H12	119.563
C6	C4	H10	119.525	C6	C5	H11	119.525

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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