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	hartrees
Energy at 0K	-321.677131
Energy at 298.15K	-321.684121
HF Energy	-321.677131
Nuclear repulsion energy	277.325316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4158	3761	108.58
2	A'	3361	3041	4.20
3	A'	3331	3013	14.55
4	A'	3318	3001	23.29
5	A'	3310	2994	14.35
6	A'	1787	1616	148.67
7	A'	1774	1605	179.06
8	A'	1666	1507	75.76
9	A'	1575	1425	35.33
10	A'	1496	1353	28.80
11	A'	1413	1278	82.00
12	A'	1338	1211	120.99
13	A'	1333	1206	12.14
14	A'	1204	1089	36.90
15	A'	1169	1057	1.31
16	A'	1158	1047	0.13
17	A'	1084	980	20.90
18	A'	909	822	44.94
19	A'	729	660	0.01
20	A'	567	513	0.15
21	A'	444	402	10.90
22	A"	1136	1028	0.04
23	A"	1093	989	0.78
24	A"	942	852	28.61
25	A"	918	831	41.48
26	A"	820	741	0.05
27	A"	598	541	25.23
28	A"	446	403	0.73
29	A"	394	357	117.80
30	A"	252	228	0.15

Atom	x (Å)	y (Å)
N1	0.022	-1.849
C2	-1.105	-1.171
C3	-1.183	0.207
C4	0.000	0.924
C5	1.196	0.228
C6	1.140	-1.148
O7	0.043	2.261
H8	-2.011	-1.751
H9	-2.137	0.701
H10	2.131	0.751
H11	2.054	-1.714
H12	-0.821	2.633

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3151	2.3834	2.7731	2.3862	1.3206	4.1103	2.0347	3.3405	3.3484	2.0369	4.5606
C2	1.3151		1.3810	2.3689	2.6934	2.2460	3.6194	1.0747	2.1372	3.7641	3.2055	3.8148
C3	2.3834	1.3810		1.3828	2.3790	2.6897	2.3916	2.1258	1.0737	3.3577	3.7639	2.4521
C4	2.7731	2.3689	1.3828		1.3838	2.3647	1.3379	3.3459	2.1482	2.1375	3.3427	1.8961
C5	2.3862	2.6934	2.3790	1.3838		1.3767	2.3374	3.7680	3.3660	1.0712	2.1225	3.1390
C6	1.3206	2.2460	2.6897	2.3647	1.3767		3.5811	3.2083	3.7623	2.1418	1.0745	4.2592
O7	4.1103	3.6194	2.3916	1.3379	2.3374	3.5811		4.5067	2.6805	2.5762	4.4543	0.9408
H8	2.0347	1.0747	2.1258	3.3459	3.7680	3.2083	4.5067		2.4544	4.8384	4.0648	4.5419
H9	3.3405	2.1372	1.0737	2.1482	3.3660	3.7623	2.6805	2.4544		4.2674	4.8361	2.3374
H10	3.3484	3.7641	3.3577	2.1375	1.0712	2.1418	2.5762	4.8384	4.2674		2.4662	3.5003
H11	2.0369	3.2055	3.7639	3.3427	2.1225	1.0745	4.4543	4.0648	4.8361	2.4662		5.2112
H12	4.5606	3.8148	2.4521	1.8961	3.1390	4.2592	0.9408	4.5419	2.3374	3.5003	5.2112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.244	N1	C2	H8	116.363
N1	C6	C5	124.402	N1	C6	H11	116.140
C2	N1	C6	116.885	C2	C3	C4	117.982
C2	C3	H9	120.557	C3	C2	H8	119.392
C3	C4	C5	118.610	C3	C4	O7	123.039
C4	C3	H9	121.460	C4	C5	C6	117.877
C4	C5	H10	120.546	C4	O7	H12	111.436
C5	C4	O7	118.351	C5	C6	H11	119.459
C6	C5	H10	121.577

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	N	-1.038
2	C	-1.192
3	C	-0.461
4	C	2.022
5	C	-0.342
6	C	-1.324
7	O	-1.369
8	H	0.798
9	H	1.075
10	H	1.105
11	H	0.906
12	H	-0.180

	x	y	z	Total
	-1.375	2.254	0.000	2.640
CHELPG
AIM
ESP

	x	y	z
x	11.037	-0.175	0.000
y	-0.175	11.430	0.000
z	0.000	0.000	6.189

<r²>	175.985
(<r²>)^1/2	13.266

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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