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	hartrees
Energy at 0K	-306.961259
Energy at 298.15K	-306.968077
HF Energy	-305.669683
Nuclear repulsion energy	272.618893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3854	3659	68.14
2	A'	3259	3094	3.83
3	A'	3250	3085	9.06
4	A'	3233	3069	11.89
5	A'	3220	3057	0.38
6	A'	3205	3043	7.81
7	A'	1675	1590	43.30
8	A'	1660	1576	29.15
9	A'	1544	1466	55.38
10	A'	1509	1433	21.89
11	A'	1484	1409	12.39
12	A'	1368	1299	18.64
13	A'	1307	1241	68.47
14	A'	1207	1146	128.31
15	A'	1204	1143	15.26
16	A'	1193	1133	14.71
17	A'	1104	1048	13.40
18	A'	1054	1001	4.70
19	A'	1027	975	0.66
20	A'	835	793	19.43
21	A'	625	594	0.38
22	A'	533	506	0.98
23	A'	405	385	9.64
24	A"	986	937	0.02
25	A"	973	924	0.11
26	A"	914	868	5.98
27	A"	846	803	0.01
28	A"	783	743	61.57
29	A"	709	673	21.68
30	A"	525	499	11.76
31	A"	425	403	0.82
32	A"	346	329	99.08
33	A"	234	222	0.74

Atom	x (Å)	y (Å)
C1	0.000	0.936
C2	-1.196	0.232
C3	-1.183	-1.156
C4	0.019	-1.846
C5	1.212	-1.134
C6	1.207	0.251
O7	0.055	2.294
H8	-0.843	2.634
H9	-2.132	0.766
H10	-2.117	-1.693
H11	0.028	-2.921
H12	2.152	-1.658
H13	2.123	0.815

	C1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12	H13
C1		1.3881	2.4036	2.7822	2.3985	1.3882	1.3590	1.8948	2.1392	3.3753	3.8576	3.3707	2.1263
C2	1.3881		1.3879	2.4069	2.7681	2.4033	2.4121	2.4274	1.0779	2.1335	3.3825	3.8448	3.3698
C3	2.4036	1.3879		1.3861	2.3951	2.7737	3.6656	3.8046	2.1434	1.0768	2.1411	3.3731	3.8491
C4	2.7822	2.4069	1.3861		1.3894	2.4101	4.1402	4.5614	3.3837	2.1411	1.0754	2.1417	3.3924
C5	2.3985	2.7681	2.3951	1.3894		1.3845	3.6176	4.2908	3.8460	3.3751	2.1439	1.0768	2.1513
C6	1.3882	2.4033	2.7737	2.4101	1.3845		2.3457	3.1430	3.3790	3.8505	3.3841	2.1299	1.0756
O7	1.3590	2.4121	3.6656	4.1402	3.6176	2.3457		0.9598	2.6684	4.5401	5.2154	4.4740	2.5422
H8	1.8948	2.4274	3.8046	4.5614	4.2908	3.1430	0.9598		2.2695	4.5099	5.6225	5.2330	3.4785
H9	2.1392	1.0779	2.1434	3.3837	3.8460	3.3790	2.6684	2.2695		2.4587	4.2736	4.9227	4.2555
H10	3.3753	2.1335	1.0768	2.1411	3.3751	3.8505	4.5401	4.5099	2.4587		2.4719	4.2691	4.9258
H11	3.8576	3.3825	2.1411	1.0754	2.1439	3.3841	5.2154	5.6225	4.2736	2.4719		2.4713	4.2835
H12	3.3707	3.8448	3.3731	2.1417	1.0768	2.1299	4.4740	5.2330	4.9227	4.2691	2.4713		2.4733
H13	2.1263	3.3698	3.8491	3.3924	2.1513	1.0756	2.5422	3.4785	4.2555	4.9258	4.2835	2.4733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.966	C1	C2	H9	119.807
C1	C6	C5	119.775	C1	C6	H13	118.767
C1	O7	H8	108.376	C2	C1	C6	119.919
C2	C1	O7	122.820	C2	C3	C4	120.383
C2	C3	H10	119.376	C3	C2	H9	120.227
C3	C4	C5	119.303	C3	C4	H11	120.359
C4	C3	H10	120.241	C4	C5	C6	120.653
C4	C5	H12	120.022	C5	C4	H11	120.338
C5	C6	H13	121.458	C6	C1	O7	117.261
C6	C5	H12	119.325

All results from a given calculation for C₆H₅OH (phenol)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅OH (phenol)