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	hartrees
Energy at 0K	-52.976151
Energy at 298.15K	-52.982665
HF Energy	-52.092122
Nuclear repulsion energy	136.795624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3592	53.54
2	A'	3235	3071	7.76
3	A'	3226	3063	18.12
4	A'	3208	3046	19.92
5	A'	3193	3031	0.70
6	A'	3178	3017	8.65
7	A'	1676	1592	27.27
8	A'	1665	1581	47.17
9	A'	1528	1451	60.47
10	A'	1499	1423	14.67
11	A'	1494	1419	29.95
12	A'	1356	1287	29.98
13	A'	1279	1214	65.06
14	A'	1214	1153	158.50
15	A'	1190	1130	4.95
16	A'	1173	1113	2.49
17	A'	1095	1040	14.23
18	A'	1045	992	9.74
19	A'	1001	951	0.08
20	A'	813	772	22.83
21	A'	608	577	0.46
22	A'	515	489	0.94
23	A'	395	375	11.13
24	A"	931	884	0.06
25	A"	916	869	0.41
26	A"	875	831	4.85
27	A"	837	794	0.02
28	A"	766	728	134.45
29	A"	629	598	5.94
30	A"	501	475	22.20
31	A"	412	391	2.07
32	A"	295	280	119.18
33	A"	229	218	0.32

Atom	x (Å)	y (Å)
C1	0.000	0.954
C2	-1.231	0.243
C3	-1.216	-1.179
C4	0.015	-1.887
C5	1.240	-1.161
C6	1.239	0.257
O7	0.066	2.343
H8	-0.849	2.687
H9	-2.186	0.785
H10	-2.166	-1.726
H11	0.022	-2.982
H12	2.196	-1.697
H13	2.172	0.831

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.4223	2.4556	2.8414	2.4518	1.4219	1.3902	1.9299	2.1928	3.4458	3.9367	3.4425	2.1758
C2	1.4223		1.4219	2.4678	2.8418	2.4709	2.4687	2.4745	1.0980	2.1788	3.4599	3.9380	3.4541
C3	2.4556	1.4219		1.4202	2.4553	2.8447	3.7481	3.8840	2.1907	1.0962	2.1871	3.4507	3.9393
C4	2.8414	2.4678	1.4202		1.4232	2.4693	4.2303	4.6555	3.4621	2.1876	1.0952	2.1887	3.4696
C5	2.4518	2.8418	2.4553	1.4232		1.4185	3.6953	4.3787	3.9398	3.4521	2.1906	1.0962	2.1993
C6	1.4219	2.4709	2.8447	2.4693	1.4185		2.3929	3.2042	3.4660	3.9408	3.4609	2.1759	1.0948
O7	1.3902	2.4687	3.7481	4.2303	3.6953	2.3929		0.9777	2.7386	4.6404	5.3254	4.5669	2.5930
H8	1.9299	2.4745	3.8840	4.6555	4.3787	3.2042	0.9777		2.3255	4.6052	5.7363	5.3380	3.5463
H9	2.1928	1.0980	2.1907	3.4621	3.9398	3.4660	2.7386	2.3255		2.5103	4.3666	5.0360	4.3587
H10	3.4458	2.1788	1.0962	2.1876	3.4521	3.9408	4.6404	4.6052	2.5103		2.5235	4.3621	5.0354
H11	3.9367	3.4599	2.1871	1.0952	2.1906	3.4609	5.3254	5.7363	4.3666	2.5235		2.5253	4.3774
H12	3.4425	3.9380	3.4507	2.1887	1.0962	2.1759	4.5669	5.3380	5.0360	4.3621	2.5253		2.5277
H13	2.1758	3.4541	3.9393	3.4696	2.1993	1.0948	2.5930	3.5463	4.3587	5.0354	4.3774	2.5277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.398	C1	C2	H9	120.386
C1	C6	C5	119.348	C1	C6	H13	119.084
C1	O7	H8	107.913	C2	C1	C6	120.627
C2	C1	O7	122.745	C2	C3	C4	120.524
C2	C3	H10	119.257	C3	C2	H9	120.216
C3	C4	C5	119.432	C3	C4	H11	120.245
C4	C3	H10	120.219	C4	C5	C6	120.671
C4	C5	H12	120.062	C5	C4	H11	120.323
C5	C6	H13	121.567	C6	C1	O7	116.627
C6	C5	H12	119.267

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

All results from a given calculation for C₆H₅OH (phenol)