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	hartrees
Energy at 0K	-323.178205
Energy at 298.15K
HF Energy	-322.847410
Nuclear repulsion energy	273.793594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3758	3565	52.68
2	A'	3253	3086	3.83
3	A'	3217	3052	14.26
4	A'	3208	3044	30.83
5	A'	3200	3036	14.45
6	A'	1671	1585	95.12
7	A'	1654	1569	118.82
8	A'	1556	1476	34.64
9	A'	1482	1406	24.91
10	A'	1407	1335	29.81
11	A'	1354	1284	20.47
12	A'	1337	1268	54.30
13	A'	1258	1194	13.82
14	A'	1218	1156	131.61
15	A'	1119	1061	4.58
16	A'	1089	1033	0.22
17	A'	1013	961	13.55
18	A'	854	810	42.68
19	A'	684	649	0.24
20	A'	528	501	0.43
21	A'	408	387	10.89
22	A"	985	934	0.03
23	A"	952	903	0.02
24	A"	852	808	5.55
25	A"	811	769	40.25
26	A"	731	694	4.27
27	A"	541	514	12.09
28	A"	408	387	95.37
29	A"	393	373	35.96
30	A"	229	217	0.78

Atom	x (Å)	y (Å)
N1	0.019	-1.876
C2	-1.125	-1.184
C3	-1.196	0.211
C4	0.000	0.935
C5	1.208	0.229
C6	1.155	-1.162
O7	0.054	2.291
H8	-2.044	-1.767
H9	-2.159	0.714
H10	2.150	0.764
H11	2.081	-1.733
H12	-0.844	2.652

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3369	2.4148	2.8116	2.4177	1.3420	4.1667	2.0658	3.3843	3.3932	2.0669	4.6094
C2	1.3369		1.3962	2.3992	2.7271	2.2801	3.6687	1.0884	2.1614	3.8106	3.2525	3.8458
C3	2.4148	1.3962		1.3988	2.4042	2.7228	2.4267	2.1511	1.0867	3.3921	3.8105	2.4664
C4	2.8116	2.3992	1.3988		1.3992	2.3945	1.3562	3.3879	2.1708	2.1571	3.3843	1.9128
C5	2.4177	2.7271	2.4042	1.3992		1.3920	2.3624	3.8153	3.4020	1.0838	2.1481	3.1750
C6	1.3420	2.2801	2.7228	2.3945	1.3920		3.6239	3.2558	3.8087	2.1680	1.0880	4.3061
O7	4.1667	3.6687	2.4267	1.3562	2.3624	3.6239		4.5673	2.7175	2.5932	4.5058	0.9681
H8	2.0658	1.0884	2.1511	3.3879	3.8153	3.2558	4.5673		2.4830	4.8986	4.1251	4.5782
H9	3.3843	2.1614	1.0867	2.1708	3.4020	3.8087	2.7175	2.4830		4.3101	4.8960	2.3421
H10	3.3932	3.8106	3.3921	2.1571	1.0838	2.1680	2.5932	4.8986	4.3101		2.4987	3.5399
H11	2.0669	3.2525	3.8105	3.3843	2.1481	1.0880	4.5058	4.1251	4.8960	2.4987		5.2714
H12	4.6094	3.8458	2.4664	1.9128	3.1750	4.3061	0.9681	4.5782	2.3421	3.5399	5.2714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.126	N1	C2	H8	116.439
N1	C6	C5	124.314	N1	C6	H11	116.160
C2	N1	C6	116.662	C2	C3	C4	118.273
C2	C3	H9	120.522	C3	C2	H8	119.435
C3	C4	C5	118.470	C3	C4	O7	123.486
C4	C3	H9	121.205	C4	C5	C6	118.154
C4	C5	H10	120.097	C4	O7	H12	109.637
C5	C4	O7	118.044	C5	C6	H11	119.525
C6	C5	H10	121.749

All results from a given calculation for C₅H₅NO (4-Pyridinol)

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 C5H5NO (4-Pyridinol)

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

States and conformations

All results from a given calculation for C₅H₅NO (4-Pyridinol)