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	hartrees
Energy at 0K	-306.096047
Energy at 298.15K	-306.102386
HF Energy	-305.474197
Nuclear repulsion energy	265.041346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3658	3531	41.83
2	A'	3219	3108	8.66
3	A'	3207	3095	29.31
4	A'	3188	3078	29.48
5	A'	3174	3064	1.12
6	A'	3159	3050	10.37
7	A'	1621	1565	16.46
8	A'	1602	1547	37.54
9	A'	1508	1456	30.26
10	A'	1476	1425	21.18
11	A'	1376	1328	24.06
12	A'	1371	1323	2.84
13	A'	1247	1203	4.20
14	A'	1208	1166	2.80
15	A'	1198	1157	2.37
16	A'	1164	1124	216.26
17	A'	1079	1041	23.73
18	A'	1028	993	4.74
19	A'	1000	966	9.39
20	A'	788	761	29.81
21	A'	627	605	0.39
22	A'	520	502	2.83
23	A'	381	368	13.65
24	A"	871	841	0.20
25	A"	850	821	0.23
26	A"	814	786	7.76
27	A"	780	753	0.02
28	A"	719	694	116.62
29	A"	617	596	11.71
30	A"	475	458	26.43
31	A"	399	385	1.30
32	A"	278	268	166.63
33	A"	218	210	0.75

Atom	x (Å)	y (Å)
C1	0.000	0.944
C2	-1.236	0.240
C3	-1.225	-1.187
C4	0.009	-1.896
C5	1.240	-1.171
C6	1.241	0.250
O7	0.078	2.370
H8	-0.815	2.785
H9	-2.188	0.785
H10	-2.174	-1.731
H11	0.015	-2.990
H12	2.192	-1.710
H13	2.170	0.826

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.4226	2.4571	2.8397	2.4516	1.4217	1.4285	2.0138	2.1933	3.4468	3.9335	3.4421	2.1729
C2	1.4226		1.4264	2.4726	2.8501	2.4775	2.5030	2.5801	1.0964	2.1827	3.4635	3.9443	3.4561
C3	2.4571	1.4264		1.4236	2.4648	2.8538	3.7876	3.9929	2.1941	1.0942	2.1883	3.4571	3.9462
C4	2.8397	2.4726	1.4236		1.4281	2.4744	4.2665	4.7533	3.4663	2.1892	1.0938	2.1910	3.4751
C5	2.4516	2.8501	2.4648	1.4281		1.4213	3.7269	4.4582	3.9465	3.4592	2.1927	1.0942	2.2030
C6	1.4217	2.4775	2.8538	2.4744	1.4213		2.4180	3.2640	3.4701	3.9480	3.4642	2.1786	1.0927
O7	1.4285	2.5030	3.7876	4.2665	3.7269	2.4180		0.9846	2.7649	4.6788	5.3601	4.5952	2.5998
H8	2.0138	2.5801	3.9929	4.7533	4.4582	3.2640	0.9846		2.4260	4.7167	5.8344	5.4082	3.5701
H9	2.1933	1.0964	2.1941	3.4663	3.9465	3.4701	2.7649	2.4260		2.5165	4.3704	5.0407	4.3575
H10	3.4468	2.1827	1.0942	2.1892	3.4592	3.9480	4.6788	4.7167	2.5165		2.5245	4.3661	5.0403
H11	3.9335	3.4635	2.1883	1.0938	2.1927	3.4642	5.3601	5.8344	4.3704	2.5245		2.5259	4.3822
H12	3.4421	3.9443	3.4571	2.1910	1.0942	2.1786	4.5952	5.4082	5.0407	4.3661	2.5259		2.5359
H13	2.1729	3.4561	3.9462	3.4751	2.2030	1.0927	2.5998	3.5701	4.3575	5.0403	4.3822	2.5359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.186	C1	C2	H9	120.530
C1	C6	C5	119.151	C1	C6	H13	118.997
C1	O7	H8	111.818	C2	C1	C6	121.153
C2	C1	O7	122.782	C2	C3	C4	120.359
C2	C3	H10	119.403	C3	C2	H9	120.284
C3	C4	C5	119.608	C3	C4	H11	120.178
C4	C3	H10	120.238	C4	C5	C6	120.544
C4	C5	H12	120.015	C5	C4	H11	120.215
C5	C6	H13	121.852	C6	C1	O7	116.065
C6	C5	H12	119.441

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₅OH (phenol)