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	hartrees
Energy at 0K	-305.665622
Energy at 298.15K	-305.672730
Nuclear repulsion energy	273.892342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4197	3813	99.71
2	A'	3351	3045	5.43
3	A'	3344	3038	19.83
4	A'	3327	3023	21.58
5	A'	3317	3014	0.19
6	A'	3301	3000	13.25
7	A'	1783	1620	61.73
8	A'	1773	1611	59.78
9	A'	1653	1502	72.40
10	A'	1620	1472	24.13
11	A'	1482	1346	29.98
12	A'	1380	1254	125.00
13	A'	1356	1232	55.70
14	A'	1282	1165	76.17
15	A'	1275	1159	0.11
16	A'	1174	1067	23.85
17	A'	1165	1059	11.76
18	A'	1110	1008	6.12
19	A'	1062	965	1.64
20	A'	880	800	18.38
21	A'	673	612	0.34
22	A'	572	519	2.39
23	A'	441	401	10.17
24	A"	1112	1011	0.23
25	A"	1097	997	0.01
26	A"	996	905	9.35
27	A"	922	838	0.02
28	A"	841	764	88.31
29	A"	744	676	17.80
30	A"	565	513	14.43
31	A"	459	417	0.33
32	A"	318	289	110.77
33	A"	252	229	4.06

Atom	x (Å)	y (Å)
C1	0.000	0.932
C2	-1.193	0.233
C3	-1.175	-1.150
C4	0.019	-1.841
C5	1.206	-1.127
C6	1.206	0.251
O7	0.047	2.279
H8	-0.816	2.651
H9	-2.128	0.763
H10	-2.105	-1.686
H11	0.028	-2.913
H12	2.144	-1.651
H13	2.121	0.810

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3822	2.3907	2.7727	2.3867	1.3847	1.3480	1.9023	2.1349	3.3594	3.8452	3.3567	2.1245
C2	1.3822		1.3835	2.4021	2.7580	2.3983	2.3919	2.4463	1.0751	2.1251	3.3750	3.8317	3.3633
C3	2.3907	1.3835		1.3794	2.3813	2.7622	3.6403	3.8174	2.1375	1.0737	2.1344	3.3563	3.8345
C4	2.7727	2.4021	1.3794		1.3849	2.4047	4.1199	4.5681	3.3750	2.1303	1.0724	2.1332	3.3827
C5	2.3867	2.7580	2.3813	1.3849		1.3784	3.5985	4.2850	3.8331	3.3585	2.1392	1.0738	2.1422
C6	1.3847	2.3983	2.7622	2.4047	1.3784		2.3360	3.1375	3.3730	3.8359	3.3760	2.1207	1.0724
O7	1.3480	2.3919	3.6403	4.1199	3.5985	2.3360		0.9390	2.6512	4.5113	5.1923	4.4546	2.5421
H8	1.9023	2.4463	3.8174	4.5681	4.2850	3.1375	0.9390		2.2988	4.5238	5.6272	5.2212	3.4660
H9	2.1349	1.0751	2.1375	3.3750	3.8331	3.3730	2.6512	2.2988		2.4488	4.2620	4.9069	4.2495
H10	3.3594	2.1251	1.0737	2.1303	3.3585	3.8359	4.5113	4.5238	2.4488		2.4616	4.2495	4.9082
H11	3.8452	3.3750	2.1344	1.0724	2.1392	3.3760	5.1923	5.6272	4.2620	2.4616		2.4635	4.2707
H12	3.3567	3.8317	3.3563	2.1332	1.0738	2.1207	4.4546	5.2212	4.9069	4.2495	2.4635		2.4607
H13	2.1245	3.3633	3.8345	3.3827	2.1422	1.0724	2.5421	3.4660	4.2495	4.9082	4.2707	2.4607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.629	C1	C2	H9	120.122
C1	C6	C5	119.486	C1	C6	H13	119.138
C1	O7	H8	111.307	C2	C1	C6	120.178
C2	C1	O7	122.346	C2	C3	C4	120.778
C2	C3	H10	119.188	C3	C2	H9	120.250
C3	C4	C5	118.957	C3	C4	H11	120.532
C4	C3	H10	120.034	C4	C5	C6	120.973
C4	C5	H12	119.825	C5	C4	H11	120.511
C5	C6	H13	121.376	C6	C1	O7	117.476
C6	C5	H12	119.202

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HF/6-311+G(3df,2p)

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	0.698
2	C	-0.510
3	C	0.309
4	C	-0.418
5	C	0.357
6	C	-0.432
7	O	-0.830
8	H	0.236
9	H	0.107
10	H	0.114
11	H	0.123
12	H	0.114
13	H	0.133

	x	y	z	Total
	-1.327	-0.114	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	11.718	-0.164	0.000
y	-0.164	12.585	0.000
z	0.000	0.000	6.762

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5OH (phenol)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₆H₅OH (phenol)