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	hartrees
Energy at 0K	-305.593464
Energy at 298.15K	-305.600602
Nuclear repulsion energy	273.676883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4191	3795	86.97
2	A'	3360	3042	7.44
3	A'	3352	3035	27.18
4	A'	3335	3020	27.14
5	A'	3325	3011	0.19
6	A'	3307	2995	16.21
7	A'	1794	1625	54.62
8	A'	1783	1614	51.95
9	A'	1659	1502	71.42
10	A'	1625	1471	30.94
11	A'	1483	1343	35.28
12	A'	1394	1263	100.07
13	A'	1359	1231	72.91
14	A'	1285	1164	64.65
15	A'	1276	1155	0.65
16	A'	1180	1069	25.65
17	A'	1169	1059	10.89
18	A'	1116	1011	3.43
19	A'	1079	977	2.65
20	A'	886	803	19.01
21	A'	674	610	0.28
22	A'	571	517	1.62
23	A'	440	398	9.83
24	A"	1098	995	0.84
25	A"	1076	974	0.04
26	A"	1000	906	11.31
27	A"	926	839	0.10
28	A"	854	773	59.46
29	A"	775	701	15.99
30	A"	573	519	6.82
31	A"	461	417	0.14
32	A"	331	300	121.05
33	A"	257	233	2.44

Atom	x (Å)	y (Å)
C1	0.000	0.934
C2	-1.193	0.233
C3	-1.176	-1.151
C4	0.019	-1.841
C5	1.208	-1.128
C6	1.206	0.250
O7	0.047	2.282
H8	-0.821	2.644
H9	-2.130	0.764
H10	-2.108	-1.688
H11	0.029	-2.916
H12	2.147	-1.653
H13	2.122	0.812

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3833	2.3936	2.7749	2.3898	1.3862	1.3491	1.8970	2.1368	3.3640	3.8494	3.3616	2.1253
C2	1.3833		1.3842	2.4023	2.7597	2.3989	2.3946	2.4393	1.0773	2.1277	3.3771	3.8355	3.3647
C3	2.3936	1.3842		1.3801	2.3838	2.7637	3.6443	3.8115	2.1397	1.0757	2.1363	3.3607	3.8379
C4	2.7749	2.4023	1.3801		1.3858	2.4048	4.1231	4.5630	3.3773	2.1332	1.0745	2.1361	3.3853
C5	2.3898	2.7597	2.3838	1.3858		1.3789	3.6027	4.2832	3.8370	3.3629	2.1411	1.0758	2.1451
C6	1.3862	2.3989	2.7637	2.4048	1.3789		2.3391	3.1364	3.3754	3.8394	3.3779	2.1233	1.0743
O7	1.3491	2.3946	3.6443	4.1231	3.6027	2.3391		0.9400	2.6536	4.5168	5.1976	4.4604	2.5429
H8	1.8970	2.4393	3.8115	4.5630	4.2832	3.1364	0.9400		2.2907	4.5187	5.6239	5.2222	3.4662
H9	2.1368	1.0773	2.1397	3.3773	3.8370	3.3754	2.6536	2.2907		2.4518	4.2660	4.9128	4.2521
H10	3.3640	2.1277	1.0757	2.1332	3.3629	3.8394	4.5168	4.5187	2.4518		2.4645	4.2556	4.9135
H11	3.8494	3.3771	2.1363	1.0745	2.1411	3.3779	5.1976	5.6239	4.2660	2.4645		2.4663	4.2753
H12	3.3616	3.8355	3.3607	2.1361	1.0758	2.1233	4.4604	5.2222	4.9128	4.2556	2.4663		2.4652
H13	2.1253	3.3647	3.8379	3.3853	2.1451	1.0743	2.5429	3.4662	4.2521	4.9135	4.2753	2.4652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.738	C1	C2	H9	120.034
C1	C6	C5	119.604	C1	C6	H13	118.940
C1	O7	H8	110.662	C2	C1	C6	120.035
C2	C1	O7	122.413	C2	C3	C4	120.692
C2	C3	H10	119.221	C3	C2	H9	120.228
C3	C4	C5	119.056	C3	C4	H11	120.486
C4	C3	H10	120.087	C4	C5	C6	120.876
C4	C5	H12	119.875	C5	C4	H11	120.458
C5	C6	H13	121.456	C6	C1	O7	117.552
C6	C5	H12	119.249

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HF/6-31G(2df,p)

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	0.469
2	C	-0.292
3	C	-0.122
4	C	-0.182
5	C	-0.125
6	C	-0.228
7	O	-0.586
8	H	0.337
9	H	0.134
10	H	0.148
11	H	0.143
12	H	0.148
13	H	0.156

	x	y	z	Total
	-1.319	-0.118	0.000	1.324
CHELPG
AIM
ESP

	x	y	z
x	10.646	-0.204	0.000
y	-0.204	11.439	0.000
z	0.000	0.000	4.223

<r²>	183.143
(<r²>)^1/2	13.533

All results from a given calculation for C6H5OH (phenol)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₅OH (phenol)