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	hartrees
Energy at 0K	-307.159790
Energy at 298.15K	-307.166525
HF Energy	-307.159790
Nuclear repulsion energy	271.371287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3708	63.41
2	A'	3240	3093	4.90
3	A'	3233	3087	14.56
4	A'	3219	3074	15.37
5	A'	3211	3066	0.14
6	A'	3190	3046	14.09
7	A'	1682	1606	60.37
8	A'	1670	1594	39.93
9	A'	1546	1476	73.11
10	A'	1513	1444	21.22
11	A'	1397	1334	14.99
12	A'	1362	1300	18.04
13	A'	1310	1251	93.54
14	A'	1196	1142	123.22
15	A'	1194	1140	9.67
16	A'	1179	1126	13.25
17	A'	1103	1053	15.02
18	A'	1056	1008	7.02
19	A'	1014	969	0.65
20	A'	839	801	19.55
21	A'	629	601	0.46
22	A'	535	511	1.35
23	A'	407	389	11.11
24	A"	993	948	0.13
25	A"	972	928	0.04
26	A"	895	855	6.68
27	A"	829	792	0.00
28	A"	763	729	80.17
29	A"	691	659	20.25
30	A"	516	492	16.02
31	A"	420	401	0.70
32	A"	341	326	115.74
33	A"	230	220	1.32

Atom	x (Å)	y (Å)
C1	0.000	0.937
C2	-1.203	0.234
C3	-1.187	-1.160
C4	0.020	-1.853
C5	1.217	-1.138
C6	1.215	0.253
O7	0.052	2.302
H8	-0.843	2.658
H9	-2.148	0.774
H10	-2.126	-1.704
H11	0.028	-2.938
H12	2.164	-1.670
H13	2.137	0.823

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3935	2.4091	2.7897	2.4054	1.3945	1.3666	1.9171	2.1538	3.3903	3.8748	3.3875	2.1401
C2	1.3935		1.3941	2.4190	2.7825	2.4187	2.4195	2.4509	1.0875	2.1467	3.4028	3.8681	3.3920
C3	2.4091	1.3941		1.3914	2.4041	2.7866	3.6772	3.8336	2.1592	1.0856	2.1537	3.3891	3.8704
C4	2.7897	2.4190	1.3914		1.3948	2.4214	4.1554	4.5931	3.4054	2.1508	1.0851	2.1519	3.4125
C5	2.4054	2.7825	2.4041	1.3948		1.3907	3.6323	4.3195	3.8700	3.3908	2.1573	1.0856	2.1661
C6	1.3945	2.4187	2.7866	2.4214	1.3907		2.3567	3.1662	3.4030	3.8721	3.4043	2.1437	1.0840
O7	1.3666	2.4195	3.6772	4.1554	3.6323	2.3567		0.9635	2.6787	4.5604	5.2404	4.4985	2.5564
H8	1.9171	2.4509	3.8336	4.5931	4.3195	3.1662	0.9635		2.2920	4.5473	5.6638	5.2701	3.5000
H9	2.1538	1.0875	2.1592	3.4054	3.8700	3.4030	2.6787	2.2920		2.4781	4.3025	4.9556	4.2849
H10	3.3903	2.1467	1.0856	2.1508	3.3908	3.8721	4.5604	4.5473	2.4781		2.4825	4.2898	4.9559
H11	3.8748	3.4028	2.1537	1.0851	2.1573	3.4043	5.2404	5.6638	4.3025	2.4825		2.4836	4.3120
H12	3.3875	3.8681	3.3891	2.1519	1.0856	2.1437	4.4985	5.2701	4.9556	4.2898	2.4836		2.4931
H13	2.1401	3.3920	3.8704	3.4125	2.1661	1.0840	2.5564	3.5000	4.2849	4.9559	4.3120	2.4931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.596	C1	C2	H9	119.971
C1	C6	C5	119.454	C1	C6	H13	118.876
C1	O7	H8	109.499	C2	C1	C6	120.349
C2	C1	O7	122.464	C2	C3	C4	120.560
C2	C3	H10	119.417	C3	C2	H9	120.433
C3	C4	C5	119.284	C3	C4	H11	120.333
C4	C3	H10	120.022	C4	C5	C6	120.757
C4	C5	H12	119.831	C5	C4	H11	120.383
C5	C6	H13	121.670	C6	C1	O7	117.187
C6	C5	H12	119.412

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HSEh1PBE/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
1	C	-0.351
2	C	0.200
3	C	-0.341
4	C	-0.113
5	C	-0.281
6	C	0.283
7	O	-0.518
8	H	0.356
9	H	0.136
10	H	0.156
11	H	0.153
12	H	0.157
13	H	0.163

	x	y	z	Total
	-1.395	-0.061	0.000	1.396
CHELPG
AIM
ESP

	x	y	z
x	11.933	-0.192	0.000
y	-0.192	13.179	0.000
z	0.000	0.000	6.241

<r²>	186.207
(<r²>)^1/2	13.646

All results from a given calculation for C6H5OH (phenol)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₆H₅OH (phenol)