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	hartrees
Energy at 0K	-305.469112
Energy at 298.15K	-305.474572
HF Energy	-304.862387
Nuclear repulsion energy	258.457121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3074	4.71
2	A₁	3188	3059	14.04
3	A₁	3166	3037	0.10
4	A₁	1611	1545	47.19
5	A₁	1491	1430	0.06
6	A₁	1283	1231	31.39
7	A₁	1168	1120	50.14
8	A₁	1042	1000	1.08
9	A₁	986	946	9.51
10	A₁	833	799	11.26
11	A₁	546	524	0.12
12	A₂	968	929	0.00
13	A₂	834	800	0.00
14	A₂	401	385	0.00
15	B₁	942	904	4.53
16	B₁	906	870	5.60
17	B₁	758	727	92.22
18	B₁	624	599	10.33
19	B₁	483	464	0.67
20	B₁	208	200	3.48
21	B₂	3200	3070	13.51
22	B₂	3175	3046	8.69
23	B₂	1601	1536	12.06
24	B₂	1496	1436	0.43
25	B₂	1356	1301	0.43
26	B₂	1285	1233	14.01
27	B₂	1187	1139	6.87
28	B₂	1128	1083	7.27
29	B₂	631	606	0.12
30	B₂	449	431	8.34

Atom	y (Å)	z (Å)
C1	0.000	1.034
C2	1.242	0.291
C3	-1.242	0.291
C4	1.230	-1.093
C5	-1.230	-1.093
C6	0.000	-1.795
O7	0.000	2.330
H8	2.172	0.864
H9	-2.172	0.864
H10	2.168	-1.651
H11	-2.168	-1.651
H12	0.000	-2.887

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4473	1.4473	2.4565	2.4565	2.8290	1.2961	2.1785	2.1785	3.4514	3.4514	3.9214
C2	1.4473		2.4846	1.3841	2.8329	2.4283	2.3874	1.0916	3.4617	2.1521	3.9250	3.4129
C3	1.4473	2.4846		2.8329	1.3841	2.4283	2.3874	3.4617	1.0916	3.9250	2.1521	3.4129
C4	2.4565	1.3841	2.8329		2.4591	1.4160	3.6369	2.1716	3.9239	1.0923	3.4433	2.1755
C5	2.4565	2.8329	1.3841	2.4591		1.4160	3.6369	3.9239	2.1716	3.4433	1.0923	2.1755
C6	2.8290	2.4283	2.4283	1.4160	1.4160		4.1251	3.4331	3.4331	2.1729	2.1729	1.0923
O7	1.2961	2.3874	2.3874	3.6369	3.6369	4.1251		2.6204	2.6204	4.5335	4.5335	5.2175
H8	2.1785	1.0916	3.4617	2.1716	3.9239	3.4331	2.6204		4.3436	2.5152	5.0161	4.3346
H9	2.1785	3.4617	1.0916	3.9239	2.1716	3.4331	2.6204	4.3436		5.0161	2.5152	4.3346
H10	3.4514	2.1521	3.9250	1.0923	3.4433	2.1729	4.5335	2.5152	5.0161		4.3363	2.4957
H11	3.4514	3.9250	2.1521	3.4433	1.0923	2.1729	4.5335	5.0161	2.5152	4.3363		2.4957
H12	3.9214	3.4129	3.4129	2.1755	2.1755	1.0923	5.2175	4.3346	4.3346	2.4957	2.4957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.341	C1	C2	H8	117.504
C1	C3	C5	120.341	C1	C3	H9	117.504
C2	C1	C3	118.261	C2	C1	O7	120.869
C2	C4	C6	120.266	C2	C4	H10	120.235
C3	C1	O7	120.869	C3	C5	C6	120.266
C3	C5	H11	120.235	C4	C2	H8	122.155
C4	C6	C5	120.525	C4	C6	H12	119.738
C5	C3	H9	122.155	C5	C6	H12	119.738
C6	C4	H10	119.499	C6	C5	H11	119.499

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

using model chemistry: CCD/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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All results from a given calculation for C6H5O (phenoxy radical)

using model chemistry: CCD/6-31G

States and conformations

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