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	hartrees
Energy at 0K	-306.717640
Energy at 298.15K
HF Energy	-305.591632
Nuclear repulsion energy	271.428381

Atom	x (Å)	y (Å)
C1	0.000	0.940
C2	-1.203	0.234
C3	-1.189	-1.160
C4	0.018	-1.853
C5	1.217	-1.139
C6	1.213	0.252
O7	0.057	2.303
H8	-0.844	2.640
H9	-2.146	0.771
H10	-2.129	-1.700
H11	0.027	-2.936
H12	2.164	-1.667
H13	2.135	0.821

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3948	2.4135	2.7934	2.4096	1.3949	1.3641	1.8976	2.1531	3.3917	3.8763	3.3883	2.1380
C2	1.3948		1.3940	2.4182	2.7825	2.4162	2.4223	2.4322	1.0860	2.1443	3.4001	3.8665	3.3888
C3	2.4135	1.3940		1.3927	2.4068	2.7869	3.6804	3.8152	2.1554	1.0839	2.1526	3.3916	3.8699
C4	2.7934	2.4182	1.3927		1.3952	2.4205	4.1564	4.5749	3.4022	2.1533	1.0829	2.1536	3.4105
C5	2.4096	2.7825	2.4068	1.3952		1.3912	3.6328	4.3047	3.8685	3.3932	2.1553	1.0839	2.1648
C6	1.3949	2.4162	2.7869	2.4205	1.3912		2.3548	3.1520	3.3997	3.8707	3.4016	2.1416	1.0832
O7	1.3641	2.4223	3.6804	4.1564	3.6328	2.3548		0.9618	2.6834	4.5609	5.2392	4.4948	2.5522
H8	1.8976	2.4322	3.8152	4.5749	4.3047	3.1520	0.9618		2.2773	4.5257	5.6433	5.2533	3.4901
H9	2.1531	1.0860	2.1554	3.4022	3.8685	3.3997	2.6834	2.2773		2.4712	4.2974	4.9524	4.2815
H10	3.3917	2.1443	1.0839	2.1533	3.3932	3.8707	4.5609	4.5257	2.4712		2.4854	4.2935	4.9537
H11	3.8763	3.4001	2.1526	1.0829	2.1553	3.4016	5.2392	5.6433	4.2974	2.4854		2.4856	4.3083
H12	3.3883	3.8665	3.3916	2.1536	1.0839	2.1416	4.4948	5.2533	4.9524	4.2935	2.4856		2.4886
H13	2.1380	3.3888	3.8699	3.4105	2.1648	1.0832	2.5522	3.4901	4.2815	4.9537	4.3083	2.4886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.869	C1	C2	H9	119.924
C1	C6	C5	119.726	C1	C6	H13	118.717
C1	O7	H8	108.095	C2	C1	C6	120.018
C2	C1	O7	122.801	C2	C3	C4	120.399
C2	C3	H10	119.323	C3	C2	H9	120.207
C3	C4	C5	119.377	C3	C4	H11	120.287
C4	C3	H10	120.278	C4	C5	C6	120.611
C4	C5	H12	120.094	C5	C4	H11	120.336
C5	C6	H13	121.557	C6	C1	O7	117.180
C6	C5	H12	119.295

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/6-31G(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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All results from a given calculation for C6H5OH (phenol)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₅OH (phenol)