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	hartrees
Energy at 0K	-306.490993
Energy at 298.15K	-306.497443
HF Energy	-305.555586
Nuclear repulsion energy	270.622116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3540	55.82
2	A'	3254	3069	4.26
3	A'	3248	3063	14.24
4	A'	3234	3050	15.30
5	A'	3226	3042	0.15
6	A'	3205	3023	11.24
7	A'	1691	1594	31.64
8	A'	1677	1582	33.55
9	A'	1563	1474	52.00
10	A'	1530	1442	30.57
11	A'	1475	1391	12.41
12	A'	1388	1309	25.70
13	A'	1316	1241	58.37
14	A'	1228	1158	159.13
15	A'	1223	1153	3.95
16	A'	1211	1142	7.63
17	A'	1119	1055	12.42
18	A'	1065	1004	5.35
19	A'	1025	967	0.36
20	A'	836	788	19.01
21	A'	633	597	0.31
22	A'	535	505	1.09
23	A'	404	381	10.69
24	A"	886	836	0.28
25	A"	877	827	0.65
26	A"	831	783	0.57
27	A"	797	752	0.59
28	A"	727	686	86.95
29	A"	516	487	3.99
30	A"	455	429	4.34
31	A"	402	379	0.81
32	A"	336	317	133.48
33	A"	226	213	0.73

Atom	x (Å)	y (Å)
C1	0.000	0.939
C2	-1.207	0.234
C3	-1.193	-1.162
C4	0.017	-1.857
C5	1.219	-1.142
C6	1.217	0.251
O7	0.061	2.311
H8	-0.848	2.659
H9	-2.154	0.773
H10	-2.135	-1.705
H11	0.025	-2.943
H12	2.168	-1.672
H13	2.141	0.822

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3979	2.4163	2.7958	2.4114	1.3977	1.3731	1.9174	2.1604	3.3983	3.8823	3.3940	2.1444
C2	1.3979		1.3963	2.4226	2.7885	2.4238	2.4333	2.4515	1.0895	2.1493	3.4076	3.8760	3.3994
C3	2.4163	1.3963		1.3950	2.4114	2.7935	3.6925	3.8367	2.1606	1.0875	2.1576	3.3991	3.8798
C4	2.7958	2.4226	1.3950		1.3980	2.4254	4.1677	4.5976	3.4099	2.1579	1.0865	2.1585	3.4186
C5	2.4114	2.7885	2.4114	1.3980		1.3931	3.6416	4.3260	3.8781	3.4009	2.1607	1.0874	2.1697
C6	1.3977	2.4238	2.7935	2.4254	1.3931		2.3617	3.1715	3.4108	3.8810	3.4094	2.1460	1.0864
O7	1.3731	2.4333	3.6925	4.1677	3.6416	2.3617		0.9729	2.6965	4.5768	5.2541	4.5061	2.5582
H8	1.9174	2.4515	3.8367	4.5976	4.3260	3.1715	0.9729		2.2944	4.5495	5.6696	5.2776	3.5082
H9	2.1604	1.0895	2.1606	3.4099	3.8781	3.4108	2.6965	2.2944		2.4773	4.3077	4.9655	4.2954
H10	3.3983	2.1493	1.0875	2.1579	3.4009	3.8810	4.5768	4.5495	2.4773		2.4905	4.3033	4.9671
H11	3.8823	3.4076	2.1576	1.0865	2.1607	3.4094	5.2541	5.6696	4.3077	2.4905		2.4910	4.3189
H12	3.3940	3.8760	3.3991	2.1585	1.0874	2.1460	4.5061	5.2776	4.9655	4.3033	2.4910		2.4945
H13	2.1444	3.3994	3.8798	3.4186	2.1697	1.0864	2.5582	3.5082	4.2954	4.9671	4.3189	2.4945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.713	C1	C2	H9	120.065
C1	C6	C5	119.555	C1	C6	H13	118.837
C1	O7	H8	108.420	C2	C1	C6	120.226
C2	C1	O7	122.837	C2	C3	C4	120.435
C2	C3	H10	119.328	C3	C2	H9	120.222
C3	C4	C5	119.394	C3	C4	H11	120.283
C4	C3	H10	120.237	C4	C5	C6	120.677
C4	C5	H12	120.040	C5	C4	H11	120.323
C5	C6	H13	121.608	C6	C1	O7	116.936
C6	C5	H12	119.283

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/6-31G*

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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All results from a given calculation for C6H5OH (phenol)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₅OH (phenol)