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	hartrees
Energy at 0K	-305.008965
Energy at 298.15K	-305.014923
HF Energy	-305.008965
Nuclear repulsion energy	262.310826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3067	3.17
2	A₁	3346	3054	19.64
3	A₁	3324	3034	0.30
4	A₁	1760	1606	25.03
5	A₁	1623	1481	2.38
6	A₁	1309	1195	12.88
7	A₁	1243	1135	16.12
8	A₁	1107	1011	2.58
9	A₁	1086	991	0.07
10	A₁	898	819	1.11
11	A₁	569	519	0.00
12	A₂	1105	1009	0.00
13	A₂	944	862	0.00
14	A₂	437	399	0.00
15	B₁	1123	1024	0.00
16	B₁	1059	966	6.55
17	B₁	861	786	65.26
18	B₁	755	689	41.04
19	B₁	546	498	3.26
20	B₁	258	235	0.93
21	B₂	3358	3064	17.13
22	B₂	3337	3046	7.27
23	B₂	1762	1608	0.98
24	B₂	1597	1457	7.04
25	B₂	1434	1308	0.20
26	B₂	1322	1206	6.09
27	B₂	1201	1096	15.99
28	B₂	1156	1055	0.04
29	B₂	672	613	0.02
30	B₂	455	415	3.75

Atom	y (Å)	z (Å)
C1	0.000	0.990
C2	1.207	0.296
C3	-1.207	0.296
C4	1.205	-1.085
C5	-1.205	-1.085
C6	0.000	-1.772
O7	0.000	2.317
H8	2.124	0.857
H9	-2.124	0.857
H10	2.134	-1.626
H11	-2.134	-1.626
H12	0.000	-2.848

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
C1		1.3924	1.3924	2.3998	2.3998	2.7629	1.3268	2.1279	2.1279	3.3761	3.3761	3.8384
C2	1.3924		2.4144	1.3814	2.7798	2.3954	2.3538	1.0746	3.3778	2.1341	3.8546	3.3682
C3	1.3924	2.4144		2.7798	1.3814	2.3954	2.3538	3.3778	1.0746	3.8546	2.1341	3.3682
C4	2.3998	1.3814	2.7798		2.4101	1.3874	3.6092	2.1486	3.8540	1.0748	3.3824	2.1356
C5	2.3998	2.7798	1.3814	2.4101		1.3874	3.6092	3.8540	2.1486	3.3824	1.0748	2.1356
C6	2.7629	2.3954	2.3954	1.3874	1.3874		4.0897	3.3803	3.3803	2.1388	2.1388	1.0755
O7	1.3268	2.3538	2.3538	3.6092	3.6092	4.0897		2.5771	2.5771	4.4835	4.4835	5.1652
H8	2.1279	1.0746	3.3778	2.1486	3.8540	3.3803	2.5771		4.2475	2.4834	4.9288	4.2708
H9	2.1279	3.3778	1.0746	3.8540	2.1486	3.3803	2.5771	4.2475		4.9288	2.4834	4.2708
H10	3.3761	2.1341	3.8546	1.0748	3.3824	2.1388	4.4835	2.4834	4.9288		4.2675	2.4589
H11	3.3761	3.8546	2.1341	3.3824	1.0748	2.1388	4.4835	4.9288	2.4834	4.2675		2.4589
H12	3.8384	3.3682	3.3682	2.1356	2.1356	1.0755	5.1652	4.2708	4.2708	2.4589	2.4589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.803	C1	C2	H8	118.643
C1	C3	C5	119.803	C1	C3	H9	118.643
C2	C1	C3	120.217	C2	C1	O7	119.891
C2	C4	C6	119.797	C2	C4	H10	120.138
C3	C1	O7	119.891	C3	C5	C6	119.797
C3	C5	H11	120.138	C4	C2	H8	121.553
C4	C6	C5	120.582	C4	C6	H12	119.709
C5	C3	H9	121.553	C5	C6	H12	119.709
C6	C4	H10	120.065	C6	C5	H11	120.065

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

using model chemistry: ROHF/6-311G**

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	0.150
2	C	-0.061
3	C	-0.061
4	C	-0.110
5	C	-0.110
6	C	-0.070
7	O	-0.306
8	H	0.122
9	H	0.122
10	H	0.107
11	H	0.107
12	H	0.110

<r²>	175.952
(<r²>)^1/2	13.265

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

using model chemistry: ROHF/6-311G**

States and conformations

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