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	hartrees
Energy at 0K	-306.876676
Energy at 298.15K	-306.883219
HF Energy	-305.671976
Nuclear repulsion energy	271.357812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3642	69.29
2	A'	3235	3082	4.87
3	A'	3227	3075	7.85
4	A'	3214	3062	9.92
5	A'	3204	3053	0.10
6	A'	3187	3037	8.66
7	A'	1651	1574	28.23
8	A'	1641	1563	45.95
9	A'	1523	1451	55.43
10	A'	1491	1420	19.76
11	A'	1469	1400	8.46
12	A'	1352	1288	17.93
13	A'	1284	1224	76.44
14	A'	1195	1138	138.47
15	A'	1183	1127	10.84
16	A'	1168	1113	3.91
17	A'	1090	1038	12.21
18	A'	1042	993	5.44
19	A'	1016	968	0.66
20	A'	825	786	20.37
21	A'	618	589	0.34
22	A'	526	501	1.28
23	A'	400	382	9.48
24	A"	939	895	0.02
25	A"	912	869	0.84
26	A"	870	829	3.17
27	A"	822	783	0.00
28	A"	752	716	78.36
29	A"	560	534	15.12
30	A"	460	438	3.38
31	A"	400	381	1.81
32	A"	329	314	94.36
33	A"	220	210	0.89

Atom	x (Å)	y (Å)
C1	0.000	0.937
C2	-1.203	0.234
C3	-1.189	-1.160
C4	0.018	-1.853
C5	1.217	-1.140
C6	1.213	0.251
O7	0.057	2.306
H8	-0.844	2.649
H9	-2.144	0.771
H10	-2.127	-1.700
H11	0.027	-2.934
H12	2.161	-1.667
H13	2.134	0.819

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3932	2.4104	2.7895	2.4066	1.3934	1.3703	1.9092	2.1507	3.3874	3.8705	3.3841	2.1368
C2	1.3932		1.3936	2.4175	2.7822	2.4161	2.4251	2.4419	1.0841	2.1429	3.3977	3.8642	3.3873
C3	2.4104	1.3936		1.3923	2.4062	2.7863	3.6830	3.8246	2.1543	1.0820	2.1506	3.3889	3.8675
C4	2.7895	2.4175	1.3923		1.3945	2.4196	4.1588	4.5837	3.4002	2.1508	1.0810	2.1511	3.4077
C5	2.4066	2.7822	2.4062	1.3945		1.3909	3.6354	4.3131	3.8663	3.3904	2.1529	1.0820	2.1626
C6	1.3934	2.4161	2.7863	2.4196	1.3909		2.3575	3.1596	3.3975	3.8682	3.3988	2.1401	1.0814
O7	1.3703	2.4251	3.6830	4.1588	3.6354	2.3575		0.9645	2.6835	4.5622	5.2396	4.4960	2.5539
H8	1.9092	2.4419	3.8246	4.5837	4.3131	3.1596	0.9645		2.2840	4.5340	5.6504	5.2598	3.4953
H9	2.1507	1.0841	2.1543	3.4002	3.8663	3.3975	2.6835	2.2840		2.4708	4.2941	4.9482	4.2781
H10	3.3874	2.1429	1.0820	2.1508	3.3904	3.8682	4.5622	4.5340	2.4708		2.4823	4.2886	4.9494
H11	3.8705	3.3977	2.1506	1.0810	2.1529	3.3988	5.2396	5.6504	4.2941	2.4823		2.4821	4.3037
H12	3.3841	3.8642	3.3889	2.1511	1.0820	2.1401	4.4960	5.2598	4.9482	4.2886	2.4821		2.4865
H13	2.1368	3.3873	3.8675	3.4077	2.1626	1.0814	2.5539	3.4953	4.2781	4.9494	4.3037	2.4865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.750	C1	C2	H9	119.975
C1	C6	C5	119.613	C1	C6	H13	118.865
C1	O7	H8	108.463	C2	C1	C6	120.230
C2	C1	O7	122.691	C2	C3	C4	120.399
C2	C3	H10	119.368	C3	C2	H9	120.275
C3	C4	C5	119.403	C3	C4	H11	120.288
C4	C3	H10	120.233	C4	C5	C6	120.605
C4	C5	H12	120.062	C5	C4	H11	120.309
C5	C6	H13	121.522	C6	C1	O7	117.079
C6	C5	H12	119.333

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅OH (phenol)