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	hartrees
Energy at 0K	-323.633956
Energy at 298.15K	-323.640614
HF Energy	-323.633956
Nuclear repulsion energy	274.739334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3681	64.92
2	A'	3201	3097	3.36
3	A'	3169	3066	12.66
4	A'	3152	3050	17.30
5	A'	3147	3044	16.81
6	A'	1638	1585	84.74
7	A'	1623	1571	147.32
8	A'	1530	1480	35.80
9	A'	1459	1412	21.87
10	A'	1384	1339	18.75
11	A'	1308	1266	3.26
12	A'	1301	1258	87.30
13	A'	1238	1198	22.27
14	A'	1183	1145	119.33
15	A'	1103	1067	5.43
16	A'	1078	1043	0.06
17	A'	1009	977	15.30
18	A'	848	820	46.38
19	A'	681	659	0.03
20	A'	530	513	0.11
21	A'	408	395	10.12
22	A"	1008	975	0.05
23	A"	978	947	0.21
24	A"	859	831	12.29
25	A"	835	808	36.39
26	A"	752	728	0.24
27	A"	544	527	20.77
28	A"	406	393	57.88
29	A"	394	381	43.96
30	A"	228	220	0.72

Atom	x (Å)	y (Å)
N1	0.022	-1.870
C2	-1.118	-1.179
C3	-1.190	0.207
C4	0.000	0.928
C5	1.202	0.228
C6	1.152	-1.156
O7	0.048	2.286
H8	-2.033	-1.762
H9	-2.150	0.708
H10	2.142	0.760
H11	2.074	-1.726
H12	-0.845	2.649

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3327	2.4040	2.7980	2.4068	1.3365	4.1558	2.0569	3.3703	3.3780	2.0576	4.6006
C2	1.3327		1.3880	2.3858	2.7137	2.2703	3.6563	1.0840	2.1507	3.7936	3.2389	3.8375
C3	2.4040	1.3880		1.3912	2.3919	2.7095	2.4196	2.1415	1.0829	3.3775	3.7930	2.4658
C4	2.7980	2.3858	1.3912		1.3914	2.3817	1.3586	3.3715	2.1609	2.1490	3.3683	1.9166
C5	2.4068	2.7137	2.3919	1.3914		1.3850	2.3598	3.7975	3.3861	1.0802	2.1391	3.1704
C6	1.3365	2.2703	2.7095	2.3817	1.3850		3.6151	3.2414	3.7916	2.1569	1.0838	4.2971
O7	4.1558	3.6563	2.4196	1.3586	2.3598	3.6151		4.5512	2.7055	2.5916	4.4943	0.9638
H8	2.0569	1.0840	2.1415	3.3715	3.7975	3.2414	4.5512		2.4725	4.8771	4.1068	4.5674
H9	3.3703	2.1507	1.0829	2.1609	3.3861	3.7916	2.7055	2.4725		4.2923	4.8747	2.3383
H10	3.3780	3.7936	3.3775	2.1490	1.0802	2.1569	2.5916	4.8771	4.2923		2.4862	3.5345
H11	2.0576	3.2389	3.7930	3.3683	2.1391	1.0838	4.4943	4.1068	4.8747	2.4862		5.2588
H12	4.6006	3.8375	2.4658	1.9166	3.1704	4.2971	0.9638	4.5674	2.3383	3.5345	5.2588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.147	N1	C2	H8	116.292
N1	C6	C5	124.337	N1	C6	H11	116.062
C2	N1	C6	116.543	C2	C3	C4	118.286
C2	C3	H9	120.508	C3	C2	H8	119.560
C3	C4	C5	118.540	C3	C4	O7	123.256
C4	C3	H9	121.206	C4	C5	C6	118.147
C4	C5	H10	120.273	C4	O7	H12	110.070
C5	C4	O7	118.205	C5	C6	H11	119.601
C6	C5	H10	121.580

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

using model chemistry: B3LYP/aug-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 C5H5NO (4-Pyridinol)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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