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	hartrees
Energy at 0K	-306.604092
Energy at 298.15K	-306.610450
HF Energy	-305.615744
Nuclear repulsion energy	270.541093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3836	3645	49.94
2	A'	3235	3074	6.12
3	A'	3229	3068	15.78
4	A'	3215	3055	16.08
5	A'	3206	3047	0.11
6	A'	3185	3027	12.94
7	A'	1669	1586	35.81
8	A'	1653	1571	38.38
9	A'	1542	1465	50.03
10	A'	1510	1435	42.70
11	A'	1463	1390	16.63
12	A'	1375	1307	33.66
13	A'	1304	1239	60.60
14	A'	1230	1169	159.81
15	A'	1203	1143	6.05
16	A'	1190	1130	2.52
17	A'	1101	1046	12.99
18	A'	1049	997	6.09
19	A'	1012	962	0.46
20	A'	828	787	18.89
21	A'	626	594	0.38
22	A'	531	505	1.06
23	A'	405	385	11.19
24	A"	862	820	0.00
25	A"	853	811	1.93
26	A"	819	778	2.10
27	A"	788	749	0.05
28	A"	725	689	103.49
29	A"	524	498	18.77
30	A"	407	387	3.20
31	A"	400	380	1.20
32	A"	303	288	130.34
33	A"	221	210	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.944
C2	-1.208	0.235
C3	-1.195	-1.164
C4	0.017	-1.860
C5	1.220	-1.143
C6	1.217	0.253
O7	0.061	2.310
H8	-0.836	2.660
H9	-2.156	0.772
H10	-2.137	-1.706
H11	0.025	-2.946
H12	2.169	-1.673
H13	2.141	0.824

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.4004	2.4227	2.8036	2.4173	1.3995	1.3677	1.9092	2.1625	3.4041	3.8897	3.3991	2.1442
C2	1.4004		1.3991	2.4268	2.7919	2.4249	2.4320	2.4535	1.0894	2.1520	3.4116	3.8791	3.4000
C3	2.4227	1.3991		1.3973	2.4150	2.7969	3.6939	3.8410	2.1614	1.0872	2.1595	3.4024	3.8829
C4	2.8036	2.4268	1.3973		1.4005	2.4295	4.1701	4.5998	3.4129	2.1596	1.0861	2.1606	3.4223
C5	2.4173	2.7919	2.4150	1.4005		1.3957	3.6426	4.3234	3.8813	3.4042	2.1629	1.0872	2.1716
C6	1.3995	2.4249	2.7969	2.4295	1.3957		2.3601	3.1639	3.4124	3.8841	3.4133	2.1483	1.0861
O7	1.3677	2.4320	3.6939	4.1701	3.6426	2.3601		0.9625	2.6977	4.5781	5.2561	4.5068	2.5565
H8	1.9092	2.4535	3.8410	4.5998	4.3234	3.1639	0.9625		2.3037	4.5560	5.6719	5.2733	3.4975
H9	2.1625	1.0894	2.1614	3.4129	3.8813	3.4124	2.6977	2.3037		2.4781	4.3104	4.9684	4.2968
H10	3.4041	2.1520	1.0872	2.1596	3.4042	3.8841	4.5781	4.5560	2.4781		2.4926	4.3067	4.9699
H11	3.8897	3.4116	2.1595	1.0861	2.1629	3.4133	5.2561	5.6719	4.3104	2.4926		2.4937	4.3228
H12	3.3991	3.8791	3.4024	2.1606	1.0872	2.1483	4.5068	5.2733	4.9684	4.3067	2.4937		2.4969
H13	2.1442	3.4000	3.8829	3.4223	2.1716	1.0861	2.5565	3.4975	4.2968	4.9699	4.3228	2.4969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.859	C1	C2	H9	120.066
C1	C6	C5	119.725	C1	C6	H13	118.681
C1	O7	H8	108.791	C2	C1	C6	120.009
C2	C1	O7	122.944	C2	C3	C4	120.409
C2	C3	H10	119.364	C3	C2	H9	120.076
C3	C4	C5	119.347	C3	C4	H11	120.301
C4	C3	H10	120.227	C4	C5	C6	120.651
C4	C5	H12	120.045	C5	C4	H11	120.352
C5	C6	H13	121.594	C6	C1	O7	117.047
C6	C5	H12	119.304

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/6-311G*

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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All results from a given calculation for C6H5OH (phenol)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₆H₅OH (phenol)