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	hartrees
Energy at 0K	-305.113912
Energy at 298.15K	-305.119141
HF Energy	-305.113912
Nuclear repulsion energy	260.726293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3093	0.31
2	A₁	3141	3082	7.71
3	A₁	3120	3061	0.83
4	A₁	1610	1579	16.72
5	A₁	1557	1527	47.75
6	A₁	1401	1374	4.28
7	A₁	1137	1115	0.00
8	A₁	1013	994	0.55
9	A₁	962	943	2.11
10	A₁	810	795	1.56
11	A₁	517	507	2.44
12	A₂	938	920	0.00
13	A₂	773	758	0.00
14	A₂	358	351	0.00
15	B₁	964	945	0.06
16	B₁	897	880	9.40
17	B₁	781	766	36.19
18	B₁	634	622	37.77
19	B₁	465	456	0.53
20	B₁	182	179	1.93
21	B₂	3151	3091	2.35
22	B₂	3126	3066	6.71
23	B₂	1542	1513	3.41
24	B₂	1463	1435	12.67
25	B₂	1370	1344	2.30
26	B₂	1252	1229	0.94
27	B₂	1143	1121	0.67
28	B₂	1067	1047	9.43
29	B₂	581	570	0.62
30	B₂	428	419	4.44

Atom	y (Å)	z (Å)
C1	0.000	1.043
C2	1.233	0.289
C3	-1.233	0.289
C4	1.220	-1.084
C5	-1.220	-1.084
C6	0.000	-1.777
O7	0.000	2.296
H8	2.162	0.869
H9	-2.162	0.869
H10	2.161	-1.647
H11	-2.161	-1.647
H12	0.000	-2.873

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4449	1.4449	2.4521	2.4521	2.8197	1.2530	2.1688	2.1688	3.4504	3.4504	3.9156
C2	1.4449		2.4652	1.3731	2.8109	2.4056	2.3552	1.0955	3.4437	2.1471	3.9068	3.3934
C3	1.4449	2.4652		2.8109	1.3731	2.4056	2.3552	3.4437	1.0955	3.9068	2.1471	3.3934
C4	2.4521	1.3731	2.8109		2.4402	1.4030	3.5934	2.1684	3.9054	1.0962	3.4273	2.1651
C5	2.4521	2.8109	1.3731	2.4402		1.4030	3.5934	3.9054	2.1684	3.4273	1.0962	2.1651
C6	2.8197	2.4056	2.4056	1.4030	1.4030		4.0727	3.4169	3.4169	2.1645	2.1645	1.0958
O7	1.2530	2.3552	2.3552	3.5934	3.5934	4.0727		2.5902	2.5902	4.4963	4.4963	5.1685
H8	2.1688	1.0955	3.4437	2.1684	3.9054	3.4169	2.5902		4.3236	2.5165	5.0016	4.3214
H9	2.1688	3.4437	1.0955	3.9054	2.1684	3.4169	2.5902	4.3236		5.0016	2.5165	4.3214
H10	3.4504	2.1471	3.9068	1.0962	3.4273	2.1645	4.4963	2.5165	5.0016		4.3212	2.4839
H11	3.4504	3.9068	2.1471	3.4273	1.0962	2.1645	4.4963	5.0016	2.5165	4.3212		2.4839
H12	3.9156	3.3934	3.3934	2.1651	2.1651	1.0958	5.1685	4.3214	4.3214	2.4839	2.4839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.930	C1	C2	H8	116.564
C1	C3	C5	120.930	C1	C3	H9	116.564
C2	C1	C3	117.094	C2	C1	O7	121.453
C2	C4	C6	120.111	C2	C4	H10	120.391
C3	C1	O7	121.453	C3	C5	C6	120.111
C3	C5	H11	120.391	C4	C2	H8	122.506
C4	C6	C5	120.825	C4	C6	H12	119.588
C5	C3	H9	122.506	C5	C6	H12	119.588
C6	C4	H10	119.498	C6	C5	H11	119.498

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.352
2	C	-0.179
3	C	-0.179
4	C	-0.144
5	C	-0.144
6	C	-0.150
7	O	-0.431
8	H	0.179
9	H	0.179
10	H	0.172
11	H	0.172
12	H	0.174

<r²>	177.353
(<r²>)^1/2	13.317

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

using model chemistry: SVWN/6-31G*

States and conformations

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