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	hartrees
Energy at 0K	-305.681672
Energy at 298.15K	-305.688796
HF Energy	-305.681672
Nuclear repulsion energy	273.881067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4182	3790	97.45
2	A'	3354	3040	6.37
3	A'	3347	3033	22.41
4	A'	3331	3019	22.61
5	A'	3321	3010	0.15
6	A'	3305	2996	14.00
7	A'	1787	1620	59.31
8	A'	1777	1611	58.45
9	A'	1657	1502	71.83
10	A'	1624	1472	25.26
11	A'	1487	1348	29.55
12	A'	1387	1257	110.08
13	A'	1361	1233	67.90
14	A'	1285	1164	76.76
15	A'	1277	1158	0.36
16	A'	1176	1066	23.41
17	A'	1166	1057	13.66
18	A'	1114	1010	3.61
19	A'	1081	979	4.64
20	A'	887	804	19.89
21	A'	677	614	0.36
22	A'	573	520	2.24
23	A'	441	399	10.20
24	A"	1103	1000	0.31
25	A"	1090	988	0.01
26	A"	998	904	10.86
27	A"	921	835	0.03
28	A"	846	767	78.84
29	A"	765	694	26.14
30	A"	568	515	14.26
31	A"	461	418	0.35
32	A"	323	293	111.72
33	A"	254	230	3.80

Atom	x (Å)	y (Å)
C1	0.000	0.927
C2	-1.190	0.232
C3	-1.173	-1.148
C4	0.020	-1.836
C5	1.205	-1.127
C6	1.203	0.250
O7	0.046	2.279
H8	-0.821	2.639
H9	-2.124	0.762
H10	-2.101	-1.683
H11	0.028	-2.907
H12	2.141	-1.650
H13	2.116	0.810

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3781	2.3837	2.7633	2.3813	1.3808	1.3529	1.8986	2.1307	3.3514	3.8347	3.3504	2.1191
C2	1.3781		1.3805	2.3963	2.7540	2.3933	2.3913	2.4351	1.0740	2.1216	3.3678	3.8262	3.3561
C3	2.3837	1.3805		1.3769	2.3781	2.7564	3.6376	3.8036	2.1342	1.0720	2.1302	3.3516	3.8273
C4	2.7633	2.3963	1.3769		1.3814	2.3977	4.1154	4.5536	3.3689	2.1268	1.0714	2.1293	3.3754
C5	2.3813	2.7540	2.3781	1.3814		1.3761	3.5978	4.2762	3.8281	3.3532	2.1345	1.0722	2.1399
C6	1.3808	2.3933	2.7564	2.3977	1.3761		2.3364	3.1316	3.3667	3.8284	3.3684	2.1183	1.0710
O7	1.3529	2.3913	3.6376	4.1154	3.5978	2.3364		0.9385	2.6480	4.5074	5.1867	4.4528	2.5384
H8	1.8986	2.4351	3.8036	4.5536	4.2762	3.1316	0.9385		2.2853	4.5086	5.6112	5.2124	3.4598
H9	2.1307	1.0740	2.1342	3.3689	3.8281	3.3667	2.6480	2.2853		2.4460	4.2544	4.9002	4.2405
H10	3.3514	2.1216	1.0720	2.1268	3.3532	3.8284	4.5074	4.5086	2.4460		2.4563	4.2426	4.8992
H11	3.8347	3.3678	2.1302	1.0714	2.1345	3.3684	5.1867	5.6112	4.2544	2.4563		2.4587	4.2633
H12	3.3504	3.8262	3.3516	2.1293	1.0722	2.1183	4.4528	5.2124	4.9002	4.2426	2.4587		2.4598
H13	2.1191	3.3561	3.8273	3.3754	2.1399	1.0710	2.5384	3.4598	4.2405	4.8992	4.2633	2.4598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.555	C1	C2	H9	120.155
C1	C6	C5	119.483	C1	C6	H13	119.062
C1	O7	H8	110.600	C2	C1	C6	120.329
C2	C1	O7	122.230	C2	C3	C4	120.700
C2	C3	H10	119.248	C3	C2	H9	120.290
C3	C4	C5	119.121	C3	C4	H11	120.424
C4	C3	H10	120.051	C4	C5	C6	120.811
C4	C5	H12	119.888	C5	C4	H11	120.455
C5	C6	H13	121.456	C6	C1	O7	117.441
C6	C5	H12	119.301

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.286
2	C	-0.146
3	C	-0.081
4	C	-0.131
5	C	-0.054
6	C	-0.122
7	O	-0.392
8	H	0.214
9	H	0.059
10	H	0.093
11	H	0.090
12	H	0.092
13	H	0.092

	x	y	z	Total
	-1.335	-0.107	0.000	1.339
CHELPG
AIM
ESP

	x	y	z
x	11.370	-0.174	0.000
y	-0.174	12.181	0.000
z	0.000	0.000	6.073

<r²>	183.454
(<r²>)^1/2	13.545

All results from a given calculation for C6H5OH (phenol)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₅OH (phenol)