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	hartrees
Energy at 0K	-52.537295
Energy at 298.15K	-52.543577
HF Energy	-51.967108
Nuclear repulsion energy	134.666055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3680	3556	32.03
2	A'	3207	3099	14.03
3	A'	3193	3085	41.31
4	A'	3172	3066	41.90
5	A'	3154	3048	3.82
6	A'	3139	3034	7.13
7	A'	1624	1569	11.40
8	A'	1603	1549	38.83
9	A'	1497	1447	32.37
10	A'	1467	1417	24.10
11	A'	1397	1350	9.96
12	A'	1357	1312	14.20
13	A'	1237	1195	2.50
14	A'	1195	1154	0.57
15	A'	1184	1144	5.37
16	A'	1159	1120	213.21
17	A'	1076	1039	20.82
18	A'	1021	987	9.84
19	A'	991	958	3.47
20	A'	781	755	30.16
21	A'	611	591	0.39
22	A'	509	492	2.33
23	A'	376	364	13.78
24	A"	881	851	0.00
25	A"	865	836	0.40
26	A"	835	807	1.26
27	A"	810	783	0.15
28	A"	738	713	144.22
29	A"	566	547	3.70
30	A"	479	463	32.13
31	A"	404	391	2.32
32	A"	242	234	143.80
33	A"	221	213	9.55

Atom	x (Å)	y (Å)
C1	0.000	0.954
C2	1.254	0.246
C3	1.241	-1.198
C4	-0.008	-1.916
C5	-1.254	-1.185
C6	-1.256	0.254
O7	-0.083	2.392
H8	0.817	2.798
H9	2.210	0.794
H10	2.196	-1.745
H11	-0.012	-3.017
H12	-2.212	-1.727
H13	-2.190	0.832

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.4399	2.4839	2.8707	2.4795	1.4384	1.4401	2.0168	2.2155	3.4796	3.9708	3.4757	2.1938
C2	1.4399		1.4435	2.5033	2.8869	2.5098	2.5285	2.5897	1.1023	2.2025	3.4992	3.9876	3.4934
C3	2.4839	1.4435		1.4406	2.4944	2.8879	3.8259	4.0184	2.2152	1.1008	2.2085	3.4928	3.9862
C4	2.8707	2.5033	1.4406		1.4447	2.5034	4.3090	4.7863	3.5023	2.2101	1.1002	2.2122	3.5093
C5	2.4795	2.8869	2.4944	1.4447		1.4385	3.7635	4.4892	3.9892	3.4946	2.2129	1.1008	2.2236
C6	1.4384	2.5098	2.8879	2.5034	1.4385		2.4388	3.2821	3.5079	3.9887	3.4989	2.1990	1.0986
O7	1.4401	2.5285	3.8259	4.3090	3.7635	2.4388		0.9875	2.7946	4.7232	5.4089	4.6363	2.6217
H8	2.0168	2.5897	4.0184	4.7863	4.4892	3.2821	0.9875		2.4406	4.7481	5.8736	5.4451	3.5930
H9	2.2155	1.1023	2.2152	3.5023	3.9892	3.5079	2.7946	2.4406		2.5396	4.4113	5.0899	4.4002
H10	3.4796	2.2025	1.1008	2.2101	3.4946	3.9887	4.7232	4.7481	2.5396		2.5475	4.4075	5.0869
H11	3.9708	3.4992	2.2085	1.1002	2.2129	3.4989	5.4089	5.8736	4.4113	2.5475		2.5501	4.4221
H12	3.4757	3.9876	3.4928	2.2122	1.1008	2.1990	4.6363	5.4451	5.0899	4.4075	2.5501		2.5587
H13	2.1938	3.4934	3.9862	3.5093	2.2236	1.0986	2.6217	3.5930	4.4002	5.0869	4.4221	2.5587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.956	C1	C2	H9	120.681
C1	C6	C5	119.053	C1	C6	H13	119.095
C1	O7	H8	110.987	C2	C1	C6	121.378
C2	C1	O7	122.789	C2	C3	C4	120.447
C2	C3	H10	119.312	C3	C2	H9	120.363
C3	C4	C5	119.652	C3	C4	H11	120.142
C4	C3	H10	120.242	C4	C5	C6	120.515
C4	C5	H12	120.091	C5	C4	H11	120.207
C5	C6	H13	121.852	C6	C1	O7	115.833
C6	C5	H12	119.394

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/CEP-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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All results from a given calculation for C6H5OH (phenol)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₆H₅OH (phenol)