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	hartrees
Energy at 0K	-305.994736
Energy at 298.15K
HF Energy	-305.064878
Nuclear repulsion energy	262.425865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3102	1.67
2	A₁	3264	3094	6.47
3	A₁	3240	3071	0.10
4	A₁	1717	1627	167.09
5	A₁	1540	1460	6.47
6	A₁	1474	1397	7.09
7	A₁	1193	1131	4.43
8	A₁	1040	986	0.18
9	A₁	968	918	1.63
10	A₁	772	732	6.85
11	A₁	537	509	3.47
12	A₂	788	747	0.00
13	A₂	769	729	0.00
14	A₂	125	118	0.00
15	B₁	894	847	6.06
16	B₁	784	743	61.07
17	B₁	670	635	40.88
18	B₁	510	483	2.10
19	B₁	107	101	3.07
20	B₁	1532i	1452i	0.11
21	B₂	3270	3099	3.69
22	B₂	3246	3077	5.79
23	B₂	1626	1541	8.82
24	B₂	1464	1387	0.49
25	B₂	1327	1258	0.26
26	B₂	1267	1201	13.13
27	B₂	1142	1083	1.23
28	B₂	1124	1065	25.99
29	B₂	594	563	1.11
30	B₂	462	438	5.84

Atom	y (Å)	z (Å)
C1	0.000	1.056
C2	1.238	0.278
C3	-1.238	0.278
C4	1.219	-1.071
C5	-1.219	-1.071
C6	0.000	-1.762
O7	0.000	2.272
H8	2.159	0.844
H9	-2.159	0.844
H10	2.144	-1.632
H11	-2.144	-1.632
H12	0.000	-2.844

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4628	1.4628	2.4515	2.4515	2.8186	1.2153	2.1699	2.1699	3.4388	3.4388	3.8998
C2	1.4628		2.4768	1.3486	2.8030	2.3865	2.3471	1.0814	3.4448	2.1138	3.8846	3.3580
C3	1.4628	2.4768		2.8030	1.3486	2.3865	2.3471	3.4448	1.0814	3.8846	2.1138	3.3580
C4	2.4515	1.3486	2.8030		2.4380	1.4016	3.5576	2.1335	3.8835	1.0823	3.4098	2.1515
C5	2.4515	2.8030	1.3486	2.4380		1.4016	3.5576	3.8835	2.1335	3.4098	1.0823	2.1515
C6	2.8186	2.3865	2.3865	1.4016	1.4016		4.0339	3.3850	3.3850	2.1482	2.1482	1.0812
O7	1.2153	2.3471	2.3471	3.5576	3.5576	4.0339		2.5885	2.5885	4.4539	4.4539	5.1151
H8	2.1699	1.0814	3.4448	2.1335	3.8835	3.3850	2.5885		4.3190	2.4766	4.9655	4.2737
H9	2.1699	3.4448	1.0814	3.8835	2.1335	3.3850	2.5885	4.3190		4.9655	2.4766	4.2737
H10	3.4388	2.1138	3.8846	1.0823	3.4098	2.1482	4.4539	2.4766	4.9655		4.2886	2.4628
H11	3.4388	3.8846	2.1138	3.4098	1.0823	2.1482	4.4539	4.9655	2.4766	4.2886		2.4628
H12	3.8998	3.3580	3.3580	2.1515	2.1515	1.0812	5.1151	4.2737	4.2737	2.4628	2.4628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.331	C1	C2	H8	116.246
C1	C3	C5	121.331	C1	C3	H9	116.246
C2	C1	C3	115.691	C2	C1	O7	122.155
C2	C4	C6	120.395	C2	C4	H10	120.426
C3	C1	O7	122.155	C3	C5	C6	120.395
C3	C5	H11	120.426	C4	C2	H8	122.423
C4	C6	C5	120.858	C4	C6	H12	119.571
C5	C3	H9	122.423	C5	C6	H12	119.571
C6	C4	H10	119.180	C6	C5	H11	119.180

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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