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	hartrees
Energy at 0K	-323.163134
Energy at 298.15K	-323.169767
Nuclear repulsion energy	274.618096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3613	53.64
2	A'	3252	3093	3.50
3	A'	3213	3056	13.96
4	A'	3200	3044	28.16
5	A'	3193	3036	19.35
6	A'	1688	1605	111.59
7	A'	1672	1590	125.10
8	A'	1564	1488	45.04
9	A'	1486	1414	27.54
10	A'	1399	1330	37.61
11	A'	1366	1299	17.64
12	A'	1353	1286	51.29
13	A'	1258	1196	14.45
14	A'	1217	1157	130.83
15	A'	1119	1064	3.18
16	A'	1090	1037	0.73
17	A'	1019	969	11.88
18	A'	861	819	40.64
19	A'	683	650	0.21
20	A'	528	502	0.57
21	A'	410	390	11.17
22	A"	999	950	0.07
23	A"	969	921	0.18
24	A"	857	815	9.81
25	A"	824	783	42.65
26	A"	751	714	0.98
27	A"	546	519	12.76
28	A"	425	404	118.61
29	A"	396	376	12.21
30	A"	230	218	0.63

Atom	x (Å)	y (Å)
N1	0.020	-1.870
C2	-1.119	-1.181
C3	-1.193	0.210
C4	0.000	0.935
C5	1.206	0.230
C6	1.151	-1.158
O7	0.051	2.282
H8	-2.038	-1.766
H9	-2.159	0.712
H10	2.150	0.765
H11	2.078	-1.731
H12	-0.847	2.637

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3314	2.4084	2.8048	2.4114	1.3363	4.1526	2.0613	3.3789	3.3880	2.0623	4.5898
C2	1.3314		1.3929	2.3931	2.7189	2.2699	3.6554	1.0900	2.1600	3.8038	3.2436	3.8275
C3	2.4084	1.3929		1.3961	2.3990	2.7145	2.4171	2.1492	1.0881	3.3887	3.8038	2.4515
C4	2.8048	2.3931	1.3961		1.3965	2.3884	1.3487	3.3835	2.1700	2.1562	3.3799	1.9015
C5	2.4114	2.7189	2.3990	1.3965		1.3890	2.3550	3.8087	3.3986	1.0852	2.1462	3.1635
C6	1.3363	2.2699	2.7145	2.3884	1.3890		3.6120	3.2469	3.8016	2.1669	1.0896	4.2890
O7	4.1526	3.6554	2.4171	1.3487	2.3550	3.6120		4.5557	2.7105	2.5896	4.4962	0.9656
H8	2.0613	1.0900	2.1492	3.3835	3.8087	3.2469	4.5557		2.4813	4.8934	4.1164	4.5613
H9	3.3789	2.1600	1.0881	2.1700	3.3986	3.8016	2.7105	2.4813		4.3084	4.8906	2.3289
H10	3.3880	3.8038	3.3887	2.1562	1.0852	2.1669	2.5896	4.8934	4.3084		2.4972	3.5333
H11	2.0623	3.2436	3.8038	3.3799	2.1462	1.0896	4.4962	4.1164	4.8906	2.4972		5.2570
H12	4.5898	3.8275	2.4515	1.9015	3.1635	4.2890	0.9656	4.5613	2.3289	3.5333	5.2570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.250	N1	C2	H8	116.354
N1	C6	C5	124.447	N1	C6	H11	116.073
C2	N1	C6	116.622	C2	C3	C4	118.193
C2	C3	H9	120.565	C3	C2	H8	119.397
C3	C4	C5	118.425	C3	C4	O7	123.429
C4	C3	H9	121.242	C4	C5	C6	118.064
C4	C5	H10	120.132	C4	O7	H12	109.385
C5	C4	O7	118.147	C5	C6	H11	119.480
C6	C5	H10	121.805

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	N	-0.431
2	C	0.020
3	C	-0.252
4	C	0.377
5	C	-0.216
6	C	0.015
7	O	-0.639
8	H	0.174
9	H	0.164
10	H	0.185
11	H	0.176
12	H	0.428

	x	y	z	Total
	-1.418	2.407	0.000	2.793
CHELPG
AIM
ESP

	x	y	z
x	10.285	-0.257	0.000
y	-0.257	10.691	0.000
z	0.000	0.000	3.366

<r²>	178.042
(<r²>)^1/2	13.343

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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