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	hartrees
Energy at 0K	-305.927507
Energy at 298.15K	-305.932806
HF Energy	-304.990730
Nuclear repulsion energy	260.975541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3106	1.88
2	A₁	3286	3097	10.69
3	A₁	3265	3076	0.03
4	A₁	1663	1567	85.71
5	A₁	1504	1417	6.19
6	A₁	1483	1398	11.05
7	A₁	1193	1124	9.10
8	A₁	1042	982	0.00
9	A₁	986	929	0.05
10	A₁	806	760	9.27
11	A₁	538	507	2.07
12	A₂	999	942	0.00
13	A₂	823	775	0.00
14	A₂	377	355	0.00
15	B₁	969	913	6.82
16	B₁	915	862	10.12
17	B₁	750	707	91.66
18	B₁	588	554	8.53
19	B₁	414	390	0.25
20	B₁	165	156	3.44
21	B₂	3294	3104	6.29
22	B₂	3271	3082	7.98
23	B₂	1625	1531	8.58
24	B₂	1489	1403	0.02
25	B₂	1347	1269	0.00
26	B₂	1297	1222	19.08
27	B₂	1160	1093	6.93
28	B₂	1133	1068	8.79
29	B₂	606	571	0.55
30	B₂	461	434	7.24

Atom	y (Å)	z (Å)
C1	0.000	1.050
C2	1.244	0.286
C3	-1.244	0.286
C4	1.225	-1.078
C5	-1.225	-1.078
C6	0.000	-1.776
O7	0.000	2.286
H8	2.164	0.853
H9	-2.164	0.853
H10	2.152	-1.636
H11	-2.152	-1.636
H12	0.000	-2.857

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4593	1.4593	2.4554	2.4554	2.8257	1.2359	2.1734	2.1734	3.4417	3.4417	3.9071
C2	1.4593		2.4870	1.3647	2.8202	2.4080	2.3547	1.0812	3.4548	2.1262	3.9017	3.3804
C3	1.4593	2.4870		2.8202	1.3647	2.4080	2.3547	3.4548	1.0812	3.9017	2.1262	3.3804
C4	2.4554	1.3647	2.8202		2.4492	1.4093	3.5801	2.1476	3.9006	1.0820	3.4220	2.1596
C5	2.4554	2.8202	1.3647	2.4492		1.4093	3.5801	3.9006	2.1476	3.4220	1.0820	2.1596
C6	2.8257	2.4080	2.4080	1.4093	1.4093		4.0616	3.4050	3.4050	2.1562	2.1562	1.0814
O7	1.2359	2.3547	2.3547	3.5801	3.5801	4.0616		2.5959	2.5959	4.4736	4.4736	5.1430
H8	2.1734	1.0812	3.4548	2.1476	3.9006	3.4050	2.5959		4.3289	2.4890	4.9824	4.2951
H9	2.1734	3.4548	1.0812	3.9006	2.1476	3.4050	2.5959	4.3289		4.9824	2.4890	4.2951
H10	3.4417	2.1262	3.9017	1.0820	3.4220	2.1562	4.4736	2.4890	4.9824		4.3033	2.4739
H11	3.4417	3.9017	2.1262	3.4220	1.0820	2.1562	4.4736	4.9824	2.4890	4.3033		2.4739
H12	3.9071	3.3804	3.3804	2.1596	2.1596	1.0814	5.1430	4.2951	4.2951	2.4739	2.4739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.761	C1	C2	H8	116.848
C1	C3	C5	120.761	C1	C3	H9	116.848
C2	C1	C3	116.888	C2	C1	O7	121.556
C2	C4	C6	120.458	C2	C4	H10	120.246
C3	C1	O7	121.556	C3	C5	C6	120.458
C3	C5	H11	120.246	C4	C2	H8	122.390
C4	C6	C5	120.675	C4	C6	H12	119.663
C5	C3	H9	122.390	C5	C6	H12	119.663
C6	C4	H10	119.296	C6	C5	H11	119.296

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

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

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/6-31+G**

States and conformations

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