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	hartrees
Energy at 0K	-305.924889
Energy at 298.15K	-305.930403
HF Energy	-304.996530
Nuclear repulsion energy	259.687176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3116	1.71
2	A₁	3246	3105	9.61
3	A₁	3223	3084	0.04
4	A₁	1655	1584	72.42
5	A₁	1500	1436	7.76
6	A₁	1459	1395	7.12
7	A₁	1164	1114	4.29
8	A₁	1028	983	0.00
9	A₁	974	932	0.34
10	A₁	797	762	5.74
11	A₁	531	508	2.12
12	A₂	1042	996	0.00
13	A₂	848	811	0.00
14	A₂	396	379	0.00
15	B₁	1030	985	1.00
16	B₁	959	917	14.97
17	B₁	826	790	42.51
18	B₁	670	641	30.02
19	B₁	491	470	0.21
20	B₁	190	182	2.99
21	B₂	3254	3113	7.52
22	B₂	3231	3091	6.53
23	B₂	1607	1538	11.37
24	B₂	1464	1400	0.01
25	B₂	1315	1258	0.73
26	B₂	1277	1222	17.47
27	B₂	1136	1087	5.61
28	B₂	1110	1062	7.57
29	B₂	596	571	0.65
30	B₂	456	437	7.16

Atom	y (Å)	z (Å)
C1	0.000	1.063
C2	1.248	0.288
C3	-1.248	0.288
C4	1.231	-1.084
C5	-1.231	-1.084
C6	0.000	-1.786
O7	0.000	2.293
H8	2.180	0.861
H9	-2.180	0.861
H10	2.169	-1.648
H11	-2.169	-1.648
H12	0.000	-2.880

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4689	1.4689	2.4746	2.4746	2.8487	1.2294	2.1893	2.1893	3.4722	3.4722	3.9433
C2	1.4689		2.4951	1.3714	2.8325	2.4196	2.3614	1.0945	3.4750	2.1439	3.9271	3.4046
C3	1.4689	2.4951		2.8325	1.3714	2.4196	2.3614	3.4750	1.0945	3.9271	2.1439	3.4046
C4	2.4746	1.3714	2.8325		2.4618	1.4170	3.5935	2.1637	3.9261	1.0951	3.4468	2.1778
C5	2.4746	2.8325	1.3714	2.4618		1.4170	3.5935	3.9261	2.1637	3.4468	1.0951	2.1778
C6	2.8487	2.4196	2.4196	1.4170	1.4170		4.0782	3.4286	3.4286	2.1738	2.1738	1.0946
O7	1.2294	2.3614	2.3614	3.5935	3.5935	4.0782		2.6080	2.6080	4.4982	4.4982	5.1727
H8	2.1893	1.0945	3.4750	2.1637	3.9261	3.4286	2.6080		4.3598	2.5088	5.0210	4.3298
H9	2.1893	3.4750	1.0945	3.9261	2.1637	3.4286	2.6080	4.3598		5.0210	2.5088	4.3298
H10	3.4722	2.1439	3.9271	1.0951	3.4468	2.1738	4.4982	2.5088	5.0210		4.3388	2.4949
H11	3.4722	3.9271	2.1439	3.4468	1.0951	2.1738	4.4982	5.0210	2.5088	4.3388		2.4949
H12	3.9433	3.4046	3.4046	2.1778	2.1778	1.0946	5.1727	4.3298	4.3298	2.4949	2.4949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.170	C1	C2	H8	116.553
C1	C3	C5	121.170	C1	C3	H9	116.553
C2	C1	C3	116.268	C2	C1	O7	121.866
C2	C4	C6	120.392	C2	C4	H10	120.323
C3	C1	O7	121.866	C3	C5	C6	120.392
C3	C5	H11	120.323	C4	C2	H8	122.277
C4	C6	C5	120.607	C4	C6	H12	119.697
C5	C3	H9	122.277	C5	C6	H12	119.697
C6	C4	H10	119.285	C6	C5	H11	119.285

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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