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	hartrees
Energy at 0K	-305.618299
Energy at 298.15K	-305.625416
Nuclear repulsion energy	273.345649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4181	3782	65.69
2	A'	3372	3049	10.21
3	A'	3363	3041	37.55
4	A'	3348	3028	33.53
5	A'	3336	3017	0.21
6	A'	3316	2999	20.69
7	A'	1800	1628	57.32
8	A'	1788	1617	57.92
9	A'	1664	1505	68.94
10	A'	1631	1475	37.51
11	A'	1493	1351	47.28
12	A'	1391	1258	139.99
13	A'	1374	1243	46.38
14	A'	1295	1171	69.60
15	A'	1280	1158	2.83
16	A'	1185	1072	25.32
17	A'	1170	1058	13.26
18	A'	1117	1010	4.14
19	A'	1080	977	4.12
20	A'	887	802	20.76
21	A'	678	613	0.34
22	A'	573	519	2.08
23	A'	438	396	11.94
24	A"	1095	990	0.41
25	A"	1077	974	0.01
26	A"	989	894	14.43
27	A"	916	828	0.12
28	A"	844	763	89.18
29	A"	763	690	24.53
30	A"	567	512	12.95
31	A"	460	416	0.40
32	A"	330	299	149.41
33	A"	255	231	3.72

Atom	x (Å)	y (Å)
C1	0.000	0.935
C2	-1.194	0.234
C3	-1.178	-1.153
C4	0.018	-1.844
C5	1.209	-1.130
C6	1.207	0.251
O7	0.048	2.284
H8	-0.815	2.655
H9	-2.132	0.764
H10	-2.111	-1.689
H11	0.027	-2.918
H12	2.148	-1.655
H13	2.122	0.813

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3846	2.3971	2.7783	2.3927	1.3876	1.3508	1.9039	2.1393	3.3674	3.8530	3.3644	2.1259
C2	1.3846		1.3869	2.4055	2.7635	2.4016	2.3977	2.4509	1.0775	2.1303	3.3807	3.8391	3.3668
C3	2.3971	1.3869		1.3817	2.3876	2.7679	3.6498	3.8255	2.1410	1.0756	2.1379	3.3641	3.8419
C4	2.7783	2.4055	1.3817		1.3883	2.4082	4.1283	4.5755	3.3800	2.1346	1.0747	2.1382	3.3891
C5	2.3927	2.7635	2.3876	1.3883		1.3806	3.6065	4.2925	3.8410	3.3666	2.1435	1.0756	2.1471
C6	1.3876	2.4016	2.7679	2.4082	1.3806		2.3409	3.1420	3.3790	3.8434	3.3814	2.1249	1.0742
O7	1.3508	2.3977	3.6498	4.1283	3.6065	2.3409		0.9396	2.6587	4.5223	5.2029	4.4639	2.5429
H8	1.9039	2.4509	3.8255	4.5755	4.2925	3.1420	0.9396		2.3052	4.5336	5.6369	5.2303	3.4672
H9	2.1393	1.0775	2.1410	3.3800	3.8410	3.3790	2.6587	2.3052		2.4530	4.2688	4.9166	4.2552
H10	3.3674	2.1303	1.0756	2.1346	3.3666	3.8434	4.5223	4.5336	2.4530		2.4662	4.2590	4.9174
H11	3.8530	3.3807	2.1379	1.0747	2.1435	3.3814	5.2029	5.6369	4.2688	2.4662		2.4687	4.2794
H12	3.3644	3.8391	3.3641	2.1382	1.0756	2.1249	4.4639	5.2303	4.9166	4.2590	2.4687		2.4680
H13	2.1259	3.3668	3.8419	3.3891	2.1471	1.0742	2.5429	3.4672	4.2552	4.9174	4.2794	2.4680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.745	C1	C2	H9	120.144
C1	C6	C5	119.614	C1	C6	H13	118.882
C1	O7	H8	111.192	C2	C1	C6	120.063
C2	C1	O7	122.454	C2	C3	C4	120.652
C2	C3	H10	119.250	C3	C2	H9	120.111
C3	C4	C5	119.072	C3	C4	H11	120.477
C4	C3	H10	120.098	C4	C5	C6	120.855
C4	C5	H12	119.873	C5	C4	H11	120.451
C5	C6	H13	121.504	C6	C1	O7	117.483
C6	C5	H12	119.272

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HF/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	ESP
1	C	0.369	0.557
2	C	-0.317	-0.474
3	C	-0.202	0.003
4	C	-0.245	-0.323
5	C	-0.197	-0.062
6	C	-0.261	-0.377
7	O	-0.679	-0.677
8	H	0.427	0.464
9	H	0.216	0.195
10	H	0.219	0.144
11	H	0.216	0.181
12	H	0.220	0.156
13	H	0.235	0.213

	x	y	z	Total
	-1.477	-0.185	0.000	1.488
CHELPG
AIM
ESP	-1.491	-0.199	0.000	1.504

	x	y	z
x	10.705	-0.208	0.000
y	-0.208	11.429	0.000
z	0.000	0.000	4.268

<r²>	184.002
(<r²>)^1/2	13.565

All results from a given calculation for C6H5OH (phenol)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₆H₅OH (phenol)