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	hartrees
Energy at 0K	-307.141108
Energy at 298.15K
HF Energy	-306.820975
Nuclear repulsion energy	270.913367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3574	45.52
2	A'	3245	3078	5.50
3	A'	3238	3072	21.33
4	A'	3223	3058	21.02
5	A'	3215	3050	0.07
6	A'	3193	3029	15.27
7	A'	1681	1595	36.39
8	A'	1668	1583	40.50
9	A'	1560	1480	48.73
10	A'	1529	1451	30.79
11	A'	1402	1330	32.97
12	A'	1385	1314	8.62
13	A'	1313	1246	70.75
14	A'	1223	1160	148.74
15	A'	1213	1151	4.13
16	A'	1200	1139	8.18
17	A'	1112	1055	11.43
18	A'	1059	1005	3.83
19	A'	1021	968	1.26
20	A'	836	793	18.16
21	A'	635	602	0.29
22	A'	537	509	1.23
23	A'	407	386	10.28
24	A"	952	903	0.00
25	A"	936	888	0.20
26	A"	870	826	3.88
27	A"	821	779	0.01
28	A"	752	714	73.09
29	A"	666	632	1.97
30	A"	513	487	6.81
31	A"	419	398	0.30
32	A"	352	334	127.20
33	A"	233	221	0.68

Atom	x (Å)	y (Å)
C1	0.000	0.938
C2	-1.205	0.234
C3	-1.189	-1.162
C4	0.018	-1.856
C5	1.218	-1.141
C6	1.217	0.252
O7	0.056	2.309
H8	-0.849	2.657
H9	-2.148	0.775
H10	-2.128	-1.705
H11	0.027	-2.940
H12	2.164	-1.673
H13	2.137	0.822

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3958	2.4133	2.7941	2.4096	1.3972	1.3723	1.9176	2.1543	3.3936	3.8784	3.3908	2.1405
C2	1.3958		1.3960	2.4221	2.7865	2.4223	2.4282	2.4491	1.0867	2.1479	3.4050	3.8713	3.3941
C3	2.4133	1.3960		1.3932	2.4078	2.7908	3.6876	3.8341	2.1607	1.0847	2.1544	3.3919	3.8735
C4	2.7941	2.4221	1.3932		1.3968	2.4245	4.1654	4.5960	3.4080	2.1519	1.0842	2.1531	3.4150
C5	2.4096	2.7865	2.4078	1.3968		1.3925	3.6407	4.3245	3.8732	3.3937	2.1582	1.0848	2.1675
C6	1.3972	2.4223	2.7908	2.4245	1.3925		2.3627	3.1713	3.4055	3.8755	3.4065	2.1446	1.0829
O7	1.3723	2.4282	3.6876	4.1654	3.6407	2.3627		0.9698	2.6855	4.5701	5.2495	4.5055	2.5583
H8	1.9176	2.4491	3.8341	4.5960	4.3245	3.1713	0.9698		2.2871	4.5462	5.6656	5.2752	3.5056
H9	2.1543	1.0867	2.1607	3.4080	3.8732	3.4055	2.6855	2.2871		2.4801	4.3046	4.9580	4.2858
H10	3.3936	2.1479	1.0847	2.1519	3.3937	3.8755	4.5701	4.5462	2.4801		2.4835	4.2920	4.9581
H11	3.8784	3.4050	2.1544	1.0842	2.1582	3.4065	5.2495	5.6656	4.3046	2.4835		2.4847	4.3140
H12	3.3908	3.8713	3.3919	2.1531	1.0848	2.1446	4.5055	5.2752	4.9580	4.2920	2.4847		2.4950
H13	2.1405	3.3941	3.8735	3.4150	2.1675	1.0829	2.5583	3.5056	4.2858	4.9581	4.3140	2.4950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.631	C1	C2	H9	119.890
C1	C6	C5	119.483	C1	C6	H13	118.781
C1	O7	H8	108.706	C2	C1	C6	120.289
C2	C1	O7	122.609	C2	C3	C4	120.540
C2	C3	H10	119.423	C3	C2	H9	120.478
C3	C4	C5	119.316	C3	C4	H11	120.319
C4	C3	H10	120.037	C4	C5	C6	120.740
C4	C5	H12	119.844	C5	C4	H11	120.365
C5	C6	H13	121.735	C6	C1	O7	117.102
C6	C5	H12	119.416

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₆H₅OH (phenol)