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	hartrees
Energy at 0K	-306.677435
Energy at 298.15K
HF Energy	-305.658900
Nuclear repulsion energy	271.351158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3649	61.32
2	A'	3252	3083	4.81
3	A'	3246	3077	11.43
4	A'	3232	3063	13.18
5	A'	3223	3055	0.13
6	A'	3205	3038	10.43
7	A'	1661	1575	32.82
8	A'	1650	1564	37.29
9	A'	1537	1457	55.95
10	A'	1508	1429	22.40
11	A'	1446	1371	11.05
12	A'	1368	1297	18.13
13	A'	1287	1220	67.50
14	A'	1209	1146	140.91
15	A'	1201	1138	16.38
16	A'	1189	1127	5.92
17	A'	1100	1043	14.26
18	A'	1049	994	6.09
19	A'	1005	953	0.04
20	A'	824	781	20.65
21	A'	626	594	0.38
22	A'	532	504	1.27
23	A'	407	385	10.65
24	A"	760	720	2.21
25	A"	706	670	1.32
26	A"	671	636	50.57
27	A"	612	581	42.31
28	A"	581	550	12.41
29	A"	327	310	10.04
30	A"	226	214	99.96
31	A"	48i	46i	1.65
32	A"	299i	284i	0.63
33	A"	1807i	1713i	0.46

Atom	x (Å)	y (Å)
C1	0.000	0.935
C2	-1.203	0.234
C3	-1.189	-1.160
C4	0.017	-1.852
C5	1.215	-1.140
C6	1.213	0.250
O7	0.060	2.307
H8	-0.842	2.648
H9	-2.143	0.774
H10	-2.126	-1.702
H11	0.024	-2.934
H12	2.158	-1.671
H13	2.133	0.819

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3926	2.4086	2.7874	2.4048	1.3932	1.3736	1.9091	2.1494	3.3872	3.8692	3.3839	2.1358
C2	1.3926		1.3935	2.4166	2.7812	2.4163	2.4279	2.4412	1.0843	2.1444	3.3973	3.8636	3.3866
C3	2.4086	1.3935		1.3905	2.4039	2.7851	3.6851	3.8236	2.1563	1.0824	2.1495	3.3860	3.8659
C4	2.7874	2.4166	1.3905		1.3937	2.4188	4.1598	4.5818	3.4005	2.1477	1.0818	2.1489	3.4072
C5	2.4048	2.7812	2.4039	1.3937		1.3902	3.6359	4.3111	3.8654	3.3875	2.1530	1.0825	2.1630
C6	1.3932	2.4163	2.7851	2.4188	1.3902		2.3585	3.1586	3.3971	3.8675	3.3987	2.1412	1.0811
O7	1.3736	2.4279	3.6851	4.1598	3.6359	2.3585		0.9647	2.6844	4.5664	5.2415	4.4980	2.5520
H8	1.9091	2.4412	3.8236	4.5818	4.3111	3.1586	0.9647		2.2815	4.5356	5.6492	5.2595	3.4928
H9	2.1494	1.0843	2.1563	3.4005	3.8654	3.3971	2.6844	2.2815		2.4760	4.2951	4.9479	4.2762
H10	3.3872	2.1444	1.0824	2.1477	3.3875	3.8675	4.5664	4.5356	2.4760		2.4780	4.2839	4.9483
H11	3.8692	3.3973	2.1495	1.0818	2.1530	3.3987	5.2415	5.6492	4.2951	2.4780		2.4794	4.3042
H12	3.3839	3.8636	3.3860	2.1489	1.0825	2.1412	4.4980	5.2595	4.9479	4.2839	2.4794		2.4899
H13	2.1358	3.3866	3.8659	3.4072	2.1630	1.0811	2.5520	3.4928	4.2762	4.9483	4.3042	2.4899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.654	C1	C2	H9	119.887
C1	C6	C5	119.532	C1	C6	H13	118.819
C1	O7	H8	108.194	C2	C1	C6	120.306
C2	C1	O7	122.739	C2	C3	C4	120.458
C2	C3	H10	119.489	C3	C2	H9	120.459
C3	C4	C5	119.401	C3	C4	H11	120.273
C4	C3	H10	120.053	C4	C5	C6	120.649
C4	C5	H12	119.890	C5	C4	H11	120.327
C5	C6	H13	121.649	C6	C1	O7	116.955
C6	C5	H12	119.461

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₆H₅OH (phenol)