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	hartrees
Energy at 0K	-305.869645
Energy at 298.15K	-305.875070
HF Energy	-304.973039
Nuclear repulsion energy	261.047470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3081	0.48
2	A₁	3242	3069	13.14
3	A₁	3220	3048	0.02
4	A₁	1666	1577	67.12
5	A₁	1500	1420	6.49
6	A₁	1482	1403	20.03
7	A₁	1196	1132	8.42
8	A₁	1045	990	0.00
9	A₁	991	938	0.03
10	A₁	808	765	9.09
11	A₁	540	512	2.06
12	A₂	997	944	0.00
13	A₂	832	788	0.00
14	A₂	391	370	0.00
15	B₁	975	923	4.18
16	B₁	925	875	15.30
17	B₁	781	739	65.75
18	B₁	644	609	17.04
19	B₁	473	448	0.10
20	B₁	188	178	3.69
21	B₂	3253	3079	6.34
22	B₂	3227	3054	9.51
23	B₂	1628	1541	12.84
24	B₂	1489	1409	0.03
25	B₂	1343	1272	0.01
26	B₂	1296	1227	17.86
27	B₂	1167	1105	5.69
28	B₂	1135	1075	9.57
29	B₂	608	576	0.67
30	B₂	462	437	8.41

Atom	y (Å)	z (Å)
C1	0.000	1.050
C2	1.242	0.286
C3	-1.242	0.286
C4	1.224	-1.078
C5	-1.224	-1.078
C6	0.000	-1.774
O7	0.000	2.284
H8	2.167	0.856
H9	-2.167	0.856
H10	2.156	-1.639
H11	-2.156	-1.639
H12	0.000	-2.862

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4583	1.4583	2.4546	2.4546	2.8244	1.2341	2.1753	2.1753	3.4465	3.4465	3.9118
C2	1.4583		2.4835	1.3634	2.8171	2.4051	2.3531	1.0869	3.4559	2.1305	3.9047	3.3833
C3	1.4583	2.4835		2.8171	1.3634	2.4051	2.3531	3.4559	1.0869	3.9047	2.1305	3.3833
C4	2.4546	1.3634	2.8171		2.4471	1.4079	3.5777	2.1518	3.9031	1.0880	3.4255	2.1632
C5	2.4546	2.8171	1.3634	2.4471		1.4079	3.5777	3.9031	2.1518	3.4255	1.0880	2.1632
C6	2.8244	2.4051	2.4051	1.4079	1.4079		4.0585	3.4080	3.4080	2.1599	2.1599	1.0874
O7	1.2341	2.3531	2.3531	3.5777	3.5777	4.0585		2.5948	2.5948	4.4765	4.4765	5.1459
H8	2.1753	1.0869	3.4559	2.1518	3.9031	3.4080	2.5948		4.3333	2.4955	4.9909	4.3033
H9	2.1753	3.4559	1.0869	3.9031	2.1518	3.4080	2.5948	4.3333		4.9909	2.4955	4.3033
H10	3.4465	2.1305	3.9047	1.0880	3.4255	2.1599	4.4765	2.4955	4.9909		4.3113	2.4782
H11	3.4465	3.9047	2.1305	3.4255	1.0880	2.1599	4.4765	4.9909	2.4955	4.3113		2.4782
H12	3.9118	3.3833	3.3833	2.1632	2.1632	1.0874	5.1459	4.3033	4.3033	2.4782	2.4782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.857	C1	C2	H8	116.693
C1	C3	C5	120.857	C1	C3	H9	116.693
C2	C1	C3	116.756	C2	C1	O7	121.622
C2	C4	C6	120.415	C2	C4	H10	120.293
C3	C1	O7	121.622	C3	C5	C6	120.415
C3	C5	H11	120.293	C4	C2	H8	122.449
C4	C6	C5	120.698	C4	C6	H12	119.651
C5	C3	H9	122.449	C5	C6	H12	119.651
C6	C4	H10	119.291	C6	C5	H11	119.291

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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