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	hartrees
Energy at 0K	-305.040106
Energy at 298.15K	-305.045804
HF Energy	-305.040106
Nuclear repulsion energy	262.545793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3027	2.44
2	A₁	3349	3018	17.33
3	A₁	3321	2992	1.48
4	A₁	1858	1674	327.13
5	A₁	1618	1458	7.05
6	A₁	1543	1390	17.28
7	A₁	1239	1116	0.17
8	A₁	1059	954	6.25
9	A₁	956	862	1.49
10	A₁	817	736	0.03
11	A₁	553	498	3.41
12	A₂	1117	1007	0.00
13	A₂	871	785	0.00
14	A₂	419	377	0.00
15	B₁	1114	1004	0.14
16	B₁	995	897	41.36
17	B₁	871	785	29.84
18	B₁	690	621	44.97
19	B₁	503	454	0.03
20	B₁	181	163	3.55
21	B₂	3356	3023	10.07
22	B₂	3327	2997	9.47
23	B₂	1685	1519	5.19
24	B₂	1541	1388	0.90
25	B₂	1428	1286	0.30
26	B₂	1353	1219	8.30
27	B₂	1216	1096	2.17
28	B₂	1122	1011	7.71
29	B₂	614	553	1.36
30	B₂	487	438	7.21

Atom	y (Å)	z (Å)
C1	0.000	1.056
C2	1.247	0.280
C3	-1.247	0.280
C4	1.227	-1.063
C5	-1.227	-1.063
C6	0.000	-1.767
O7	0.000	2.257
H8	2.161	0.840
H9	-2.161	0.840
H10	2.145	-1.620
H11	-2.145	-1.620
H12	0.000	-2.838

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4683	1.4683	2.4495	2.4495	2.8229	1.2006	2.1721	2.1721	3.4301	3.4301	3.8947
C2	1.4683		2.4930	1.3439	2.8154	2.3967	2.3368	1.0722	3.4533	2.1024	3.8878	3.3586
C3	1.4683	2.4930		2.8154	1.3439	2.3967	2.3368	3.4533	1.0722	3.8878	2.1024	3.3586
C4	2.4495	1.3439	2.8154		2.4549	1.4146	3.5400	2.1198	3.8865	1.0733	3.4181	2.1581
C5	2.4495	2.8154	1.3439	2.4549		1.4146	3.5400	3.8865	2.1198	3.4181	1.0733	2.1581
C6	2.8229	2.3967	2.3967	1.4146	1.4146		4.0236	3.3858	3.3858	2.1500	2.1500	1.0717
O7	1.2006	2.3368	2.3368	3.5400	3.5400	4.0236		2.5845	2.5845	4.4311	4.4311	5.0953
H8	2.1721	1.0722	3.4533	2.1198	3.8865	3.3858	2.5845		4.3225	2.4600	4.9594	4.2660
H9	2.1721	3.4533	1.0722	3.8865	2.1198	3.3858	2.5845	4.3225		4.9594	2.4600	4.2660
H10	3.4301	2.1024	3.8878	1.0733	3.4181	2.1500	4.4311	2.4600	4.9594		4.2900	2.4667
H11	3.4301	3.8878	2.1024	3.4181	1.0733	2.1500	4.4311	4.9594	2.4600	4.2900		2.4667
H12	3.8947	3.3586	3.3586	2.1581	2.1581	1.0717	5.0953	4.2660	4.2660	2.4667	2.4667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.089	C1	C2	H8	116.658
C1	C3	C5	121.089	C1	C3	H9	116.658
C2	C1	C3	116.197	C2	C1	O7	121.901
C2	C4	C6	120.621	C2	C4	H10	120.445
C3	C1	O7	121.901	C3	C5	C6	120.621
C3	C5	H11	120.445	C4	C2	H8	122.252
C4	C6	C5	120.382	C4	C6	H12	119.809
C5	C3	H9	122.252	C5	C6	H12	119.809
C6	C4	H10	118.934	C6	C5	H11	118.934

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

using model chemistry: ROHF/cc-pVTZ

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	0.317
2	C	-0.195
3	C	-0.195
4	C	-0.155
5	C	-0.155
6	C	-0.095
7	O	-0.392
8	H	0.179
9	H	0.179
10	H	0.170
11	H	0.170
12	H	0.171

<r²>	176.238
(<r²>)^1/2	13.275

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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