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	hartrees
Energy at 0K	-305.443626
Energy at 298.15K	-305.450573
HF Energy	-305.443626
Nuclear repulsion energy	270.746179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	3458	27.72
2	A'	3255	3136	1.51
3	A'	3244	3125	10.43
4	A'	3227	3108	13.08
5	A'	3219	3101	0.08
6	A'	3199	3082	9.85
7	A'	1674	1612	41.16
8	A'	1646	1585	28.12
9	A'	1567	1510	31.40
10	A'	1528	1472	32.32
11	A'	1416	1364	25.32
12	A'	1373	1323	7.73
13	A'	1326	1278	31.93
14	A'	1239	1193	3.36
15	A'	1230	1185	0.87
16	A'	1197	1153	202.16
17	A'	1115	1074	27.71
18	A'	1065	1026	2.99
19	A'	1043	1005	4.82
20	A'	842	811	22.50
21	A'	658	634	0.29
22	A'	552	532	1.32
23	A'	398	384	12.36
24	A"	1041	1003	2.06
25	A"	1014	977	0.03
26	A"	947	912	19.22
27	A"	863	832	0.20
28	A"	805	776	59.66
29	A"	735	708	54.96
30	A"	537	518	10.73
31	A"	440	424	0.07
32	A"	381	367	159.99
33	A"	242	233	0.97

Atom	x (Å)	y (Å)
C1	0.000	0.940
C2	-1.199	0.228
C3	-1.188	-1.165
C4	0.017	-1.860
C5	1.214	-1.145
C6	1.210	0.244
O7	0.060	2.322
H8	-0.844	2.719
H9	-2.143	0.763
H10	-2.126	-1.708
H11	0.024	-2.943
H12	2.159	-1.676
H13	2.127	0.816

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3946	2.4170	2.7997	2.4129	1.3956	1.3837	1.9694	2.1504	3.3957	3.8829	3.3921	2.1304
C2	1.3946		1.3931	2.4159	2.7766	2.4089	2.4438	2.5167	1.0851	2.1463	3.3987	3.8605	3.3774
C3	2.4170	1.3931		1.3905	2.4021	2.7810	3.7040	3.8997	2.1518	1.0839	2.1517	3.3857	3.8613
C4	2.7997	2.4159	1.3905		1.3945	2.4186	4.1823	4.6593	3.3976	2.1482	1.0832	2.1502	3.4074
C5	2.4129	2.7766	2.4021	1.3945		1.3893	3.6544	4.3784	3.8617	3.3874	2.1559	1.0839	2.1628
C6	1.3956	2.4089	2.7810	2.4186	1.3893		2.3748	3.2162	3.3928	3.8649	3.4004	2.1423	1.0805
O7	1.3837	2.4438	3.7040	4.1823	3.6544	2.3748		0.9875	2.6993	4.5850	5.2653	4.5159	2.5573
H8	1.9694	2.5167	3.8997	4.6593	4.3784	3.2162	0.9875		2.3485	4.6092	5.7285	5.3235	3.5282
H9	2.1504	1.0851	2.1518	3.3976	3.8617	3.3928	2.6993	2.3485		2.4709	4.2932	4.9456	4.2702
H10	3.3957	2.1463	1.0839	2.1482	3.3874	3.8649	4.5850	4.6092	2.4709		2.4798	4.2852	4.9452
H11	3.8829	3.3987	2.1517	1.0832	2.1559	3.4004	5.2653	5.7285	4.2932	2.4798		2.4823	4.3067
H12	3.3921	3.8605	3.3857	2.1502	1.0839	2.1423	4.5159	5.3235	4.9456	4.2852	2.4823		2.4922
H13	2.1304	3.3774	3.8613	3.4074	2.1628	1.0805	2.5573	3.5282	4.2702	4.9452	4.3067	2.4922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.236	C1	C2	H9	119.754
C1	C6	C5	120.090	C1	C6	H13	118.161
C1	O7	H8	111.215	C2	C1	C6	119.394
C2	C1	O7	123.198	C2	C3	C4	120.438
C2	C3	H10	119.581	C3	C2	H9	120.011
C3	C4	C5	119.201	C3	C4	H11	120.373
C4	C3	H10	119.981	C4	C5	C6	120.640
C4	C5	H12	119.831	C5	C4	H11	120.426
C5	C6	H13	121.749	C6	C1	O7	117.408
C6	C5	H12	119.529

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₆H₅OH (phenol)