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	hartrees
Energy at 0K	-306.714746
Energy at 298.15K	-306.719960
HF Energy	-306.714746
Nuclear repulsion energy	257.833588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3110	0.32
2	A₁	3123	3097	25.85
3	A₁	3099	3074	1.75
4	A₁	1552	1539	21.11
5	A₁	1463	1452	31.54
6	A₁	1392	1380	0.83
7	A₁	1148	1139	0.01
8	A₁	987	979	0.01
9	A₁	959	951	3.01
10	A₁	781	775	0.82
11	A₁	516	512	2.27
12	A₂	936	928	0.00
13	A₂	779	772	0.00
14	A₂	363	360	0.00
15	B₁	959	952	0.11
16	B₁	890	883	6.73
17	B₁	771	765	32.59
18	B₁	639	633	24.74
19	B₁	468	465	0.18
20	B₁	185	183	2.19
21	B₂	3133	3107	17.02
22	B₂	3105	3080	15.36
23	B₂	1509	1497	2.77
24	B₂	1414	1402	3.83
25	B₂	1321	1310	5.89
26	B₂	1242	1232	3.89
27	B₂	1149	1139	0.31
28	B₂	1065	1056	7.37
29	B₂	579	574	0.43
30	B₂	430	427	4.42

Atom	y (Å)	z (Å)
C1	0.000	1.062
C2	1.250	0.290
C3	-1.250	0.290
C4	1.234	-1.098
C5	-1.234	-1.098
C6	0.000	-1.802
O7	0.000	2.329
H8	2.184	0.858
H9	-2.184	0.858
H10	2.173	-1.660
H11	-2.173	-1.660
H12	0.000	-2.895

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4688	1.4688	2.4875	2.4875	2.8641	1.2663	2.1931	2.1931	3.4838	3.4838	3.9578
C2	1.4688		2.4992	1.3882	2.8449	2.4369	2.3908	1.0930	3.4798	2.1584	3.9398	3.4221
C3	1.4688	2.4992		2.8449	1.3882	2.4369	2.3908	3.4798	1.0930	3.9398	2.1584	3.4221
C4	2.4875	1.3882	2.8449		2.4672	1.4203	3.6417	2.1744	3.9373	1.0953	3.4531	2.1802
C5	2.4875	2.8449	1.3882	2.4672		1.4203	3.6417	3.9373	2.1744	3.4531	1.0953	2.1802
C6	2.8641	2.4369	2.4369	1.4203	1.4203		4.1303	3.4413	3.4413	2.1779	2.1779	1.0937
O7	1.2663	2.3908	2.3908	3.6417	3.6417	4.1303		2.6326	2.6326	4.5426	4.5426	5.2240
H8	2.1931	1.0930	3.4798	2.1744	3.9373	3.4413	2.6326		4.3672	2.5185	5.0324	4.3425
H9	2.1931	3.4798	1.0930	3.9373	2.1744	3.4413	2.6326	4.3672		5.0324	2.5185	4.3425
H10	3.4838	2.1584	3.9398	1.0953	3.4531	2.1779	4.5426	2.5185	5.0324		4.3467	2.4997
H11	3.4838	3.9398	2.1584	3.4531	1.0953	2.1779	4.5426	5.0324	2.5185	4.3467		2.4997
H12	3.9578	3.4221	3.4221	2.1802	2.1802	1.0937	5.2240	4.3425	4.3425	2.4997	2.4997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.048	C1	C2	H8	116.999
C1	C3	C5	121.048	C1	C3	H9	116.999
C2	C1	C3	116.584	C2	C1	O7	121.708
C2	C4	C6	120.371	C2	C4	H10	120.249
C3	C1	O7	121.708	C3	C5	C6	120.371
C3	C5	H11	120.249	C4	C2	H8	121.953
C4	C6	C5	120.576	C4	C6	H12	119.712
C5	C3	H9	121.953	C5	C6	H12	119.712
C6	C4	H10	119.380	C6	C5	H11	119.380

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.396
2	C	-0.130
3	C	-0.130
4	C	-0.095
5	C	-0.095
6	C	-0.092
7	O	-0.462
8	H	0.125
9	H	0.125
10	H	0.118
11	H	0.118
12	H	0.121

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

using model chemistry: BLYP/6-31G*

States and conformations

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