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	hartrees
Energy at 0K	-306.562742
Energy at 298.15K	-306.568701
HF Energy	-305.581910
Nuclear repulsion energy	270.433329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3630	62.40
2	A'	3281	3086	5.83
3	A'	3274	3080	13.43
4	A'	3261	3068	14.40
5	A'	3253	3060	0.08
6	A'	3234	3042	11.13
7	A'	1678	1578	38.25
8	A'	1666	1567	34.45
9	A'	1550	1458	58.63
10	A'	1517	1427	15.71
11	A'	1473	1386	8.48
12	A'	1376	1294	16.70
13	A'	1294	1217	76.88
14	A'	1210	1138	11.12
15	A'	1204	1133	119.75
16	A'	1198	1127	31.32
17	A'	1108	1042	15.47
18	A'	1056	993	7.60
19	A'	1018	958	0.26
20	A'	829	780	22.09
21	A'	628	591	0.39
22	A'	532	500	1.50
23	A'	402	378	10.80
24	A"	889	836	0.00
25	A"	878	825	0.56
26	A"	828	779	0.26
27	A"	795	748	0.59
28	A"	717	674	110.54
29	A"	474	446	14.64
30	A"	386	363	3.19
31	A"	267	251	19.28
32	A"	237	223	87.63
33	A"	141	133	8.89

Atom	x (Å)	y (Å)
C1	0.000	0.937
C2	-1.209	0.235
C3	-1.195	-1.163
C4	0.016	-1.859
C5	1.220	-1.144
C6	1.218	0.251
O7	0.062	2.314
H8	-0.837	2.672
H9	-2.152	0.773
H10	-2.134	-1.703
H11	0.024	-2.941
H12	2.165	-1.674
H13	2.140	0.819

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3981	2.4165	2.7961	2.4126	1.3980	1.3788	1.9265	2.1579	3.3950	3.8785	3.3916	2.1431
C2	1.3981		1.3986	2.4265	2.7937	2.4275	2.4368	2.4654	1.0851	2.1479	3.4075	3.8768	3.3996
C3	2.4165	1.3986		1.3970	2.4152	2.7973	3.6978	3.8523	2.1598	1.0831	2.1557	3.3986	3.8796
C4	2.7961	2.4265	1.3970		1.3997	2.4284	4.1737	4.6109	3.4101	2.1560	1.0824	2.1566	3.4176
C5	2.4126	2.7937	2.4152	1.3997		1.3956	3.6477	4.3356	3.8788	3.4002	2.1588	1.0831	2.1681
C6	1.3980	2.4275	2.7973	2.4284	1.3956		2.3654	3.1757	3.4101	3.8804	3.4087	2.1452	1.0825
O7	1.3788	2.4368	3.6978	4.1737	3.6477	2.3654		0.9669	2.6971	4.5786	5.2559	4.5089	2.5605
H8	1.9265	2.4654	3.8523	4.6109	4.3356	3.1757	0.9669		2.3100	4.5640	5.6793	5.2819	3.5065
H9	2.1579	1.0851	2.1598	3.4101	3.8788	3.4101	2.6971	2.3100		2.4766	4.3046	4.9620	4.2918
H10	3.3950	2.1479	1.0831	2.1560	3.4002	3.8804	4.5786	4.5640	2.4766		2.4875	4.2991	4.9626
H11	3.8785	3.4075	2.1557	1.0824	2.1588	3.4087	5.2559	5.6793	4.3046	2.4875		2.4884	4.3148
H12	3.3916	3.8768	3.3986	2.1566	1.0831	2.1452	4.5089	5.2819	4.9620	4.2991	2.4884		2.4927
H13	2.1431	3.3996	3.8796	3.4176	2.1681	1.0825	2.5605	3.5065	4.2918	4.9626	4.3148	2.4927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.548	C1	C2	H9	120.160
C1	C6	C5	119.453	C1	C6	H13	118.990
C1	O7	H8	109.167	C2	C1	C6	120.493
C2	C1	O7	122.686	C2	C3	C4	120.446
C2	C3	H10	119.331	C3	C2	H9	120.292
C3	C4	C5	119.436	C3	C4	H11	120.249
C4	C3	H10	120.223	C4	C5	C6	120.625
C4	C5	H12	120.046	C5	C4	H11	120.315
C5	C6	H13	121.557	C6	C1	O7	116.821
C6	C5	H12	119.329

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/6-31+G**

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	-0.312	0.439
2	C	0.134	-0.343
3	C	-0.292	-0.072
4	C	-0.114	-0.200
5	C	-0.235	-0.143
6	C	0.247	-0.248
7	O	-0.536	-0.636
8	H	0.349	0.431
9	H	0.138	0.163
10	H	0.153	0.131
11	H	0.151	0.147
12	H	0.154	0.145
13	H	0.165	0.185

	x	y	z	Total
	-1.420	-0.241	0.000	1.440
CHELPG
AIM
ESP	-1.427	-0.263	0.000	1.451

<r²>	187.778
(<r²>)^1/2	13.703

All results from a given calculation for C6H5OH (phenol)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₆H₅OH (phenol)