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	hartrees
Energy at 0K	-306.686288
Energy at 298.15K	-306.691722
HF Energy	-306.686288
Nuclear repulsion energy	260.601040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3078	0.04
2	A₁	3233	3062	12.22
3	A₁	3215	3044	0.27
4	A₁	1639	1552	53.55
5	A₁	1514	1433	7.32
6	A₁	1447	1370	3.09
7	A₁	1173	1110	1.33
8	A₁	1032	977	0.00
9	A₁	982	930	1.32
10	A₁	819	776	3.75
11	A₁	530	502	2.26
12	A₂	1001	948	0.00
13	A₂	823	780	0.00
14	A₂	383	363	0.00
15	B₁	1017	963	0.28
16	B₁	944	894	7.61
17	B₁	805	762	46.32
18	B₁	658	624	31.52
19	B₁	487	461	0.15
20	B₁	197	187	2.64
21	B₂	3249	3077	4.29
22	B₂	3225	3054	7.03
23	B₂	1593	1509	3.89
24	B₂	1470	1392	5.82
25	B₂	1352	1280	11.17
26	B₂	1294	1225	6.27
27	B₂	1170	1108	3.72
28	B₂	1108	1049	7.41
29	B₂	597	565	1.20
30	B₂	448	425	4.74

Atom	y (Å)	z (Å)
C1	0.000	1.046
C2	1.238	0.289
C3	-1.238	0.289
C4	1.224	-1.084
C5	-1.224	-1.084
C6	0.000	-1.778
O7	0.000	2.295
H8	2.161	0.860
H9	-2.161	0.860
H10	2.155	-1.643
H11	-2.155	-1.643
H12	0.000	-2.864

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.4505	1.4505	2.4564	2.4564	2.8238	1.2498	2.1687	2.1687	3.4454	3.4454	3.9092
C2	1.4505		2.4756	1.3737	2.8190	2.4098	2.3571	1.0852	3.4462	2.1389	3.9042	3.3873
C3	1.4505	2.4756		2.8190	1.3737	2.4098	2.3571	3.4462	1.0852	3.9042	2.1389	3.3873
C4	2.4564	1.3737	2.8190		2.4478	1.4070	3.5944	2.1583	3.9034	1.0856	3.4244	2.1597
C5	2.4564	2.8190	1.3737	2.4478		1.4070	3.5944	3.9034	2.1583	3.4244	1.0856	2.1597
C6	2.8238	2.4098	2.4098	1.4070	1.4070		4.0736	3.4103	3.4103	2.1589	2.1589	1.0854
O7	1.2498	2.3571	2.3571	3.5944	3.5944	4.0736		2.5940	2.5940	4.4893	4.4893	5.1590
H8	2.1687	1.0852	3.4462	2.1583	3.9034	3.4103	2.5940		4.3216	2.5032	4.9889	4.3053
H9	2.1687	3.4462	1.0852	3.9034	2.1583	3.4103	2.5940	4.3216		4.9889	2.5032	4.3053
H10	3.4454	2.1389	3.9042	1.0856	3.4244	2.1589	4.4893	2.5032	4.9889		4.3092	2.4763
H11	3.4454	3.9042	2.1389	3.4244	1.0856	2.1589	4.4893	4.9889	2.5032	4.3092		2.4763
H12	3.9092	3.3873	3.3873	2.1597	2.1597	1.0854	5.1590	4.3053	4.3053	2.4763	2.4763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	120.839	C1	C2	H8	116.850
C1	C3	C5	120.839	C1	C3	H9	116.850
C2	C1	C3	117.161	C2	C1	O7	121.420
C2	C4	C6	120.135	C2	C4	H10	120.399
C3	C1	O7	121.420	C3	C5	C6	120.135
C3	C5	H11	120.399	C4	C2	H8	122.311
C4	C6	C5	120.891	C4	C6	H12	119.554
C5	C3	H9	122.311	C5	C6	H12	119.554
C6	C4	H10	119.466	C6	C5	H11	119.466

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

using model chemistry: M06-2X/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	0.384
2	C	-0.178
3	C	-0.178
4	C	-0.165
5	C	-0.165
6	C	-0.145
7	O	-0.482
8	H	0.191
9	H	0.191
10	H	0.181
11	H	0.181
12	H	0.184

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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