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	hartrees
Energy at 0K	-321.696713
Energy at 298.15K	-321.703837
HF Energy	-321.696713
Nuclear repulsion energy	278.878891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4135	3748	136.54
2	A'	3369	3054	1.85
3	A'	3361	3047	15.74
4	A'	3331	3019	17.45
5	A'	3323	3012	9.34
6	A'	1797	1629	128.34
7	A'	1775	1609	173.21
8	A'	1646	1492	148.91
9	A'	1608	1458	75.82
10	A'	1477	1339	14.10
11	A'	1440	1306	84.08
12	A'	1332	1208	110.81
13	A'	1294	1173	74.72
14	A'	1200	1088	6.27
15	A'	1173	1063	66.57
16	A'	1131	1025	5.92
17	A'	1079	978	15.67
18	A'	923	836	9.38
19	A'	687	623	3.06
20	A'	611	554	1.00
21	A'	459	416	18.06
22	A"	1125	1020	0.38
23	A"	1109	1006	0.46
24	A"	970	879	6.66
25	A"	878	796	73.35
26	A"	836	758	10.57
27	A"	597	541	1.75
28	A"	512	464	131.70
29	A"	463	420	0.53
30	A"	244	221	1.49

Atom	x (Å)	y (Å)
N1	-1.163	0.300
C2	0.000	0.888
C3	1.216	0.222
C4	1.179	-1.145
C5	-0.044	-1.796
C6	-1.174	-1.023
O7	0.003	2.223
H8	2.130	0.777
H9	2.092	-1.706
H10	-0.113	-2.865
H11	-2.146	-1.475
H12	-0.895	2.513

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3031	2.3803	2.7518	2.3763	1.3232	2.2485	3.3280	3.8240	3.3343	2.0292	2.2291
C2	1.3031		1.3859	2.3497	2.6843	2.2426	1.3352	2.1333	3.3324	3.7539	3.1919	1.8554
C3	2.3803	1.3859		1.3680	2.3798	2.6950	2.3397	1.0695	2.1182	3.3609	3.7663	3.1148
C4	2.7518	2.3497	1.3680		1.3856	2.3559	3.5674	2.1448	1.0722	2.1506	3.3411	4.2049
C5	2.3763	2.6843	2.3798	1.3856		1.3690	4.0194	3.3692	2.1388	1.0704	2.1262	4.3925
C6	1.3232	2.2426	2.6950	2.3559	1.3690		3.4526	3.7630	3.3372	2.1252	1.0720	3.5471
O7	2.2485	1.3352	2.3397	3.5674	4.0194	3.4526		2.5728	4.4501	5.0887	4.2768	0.9430
H8	3.3280	2.1333	1.0695	2.1448	3.3692	3.7630	2.5728		2.4831	4.2771	4.8333	3.4880
H9	3.8240	3.3324	2.1182	1.0722	2.1388	3.3372	4.4501	2.4831		2.4915	4.2449	5.1694
H10	3.3343	3.7539	3.3609	2.1506	1.0704	2.1252	5.0887	4.2771	2.4915		2.4624	5.4341
H11	2.0292	3.1919	3.7663	3.3411	2.1262	1.0720	4.2768	4.8333	4.2449	2.4624		4.1798
H12	2.2291	1.8554	3.1148	4.2049	4.3925	3.5471	0.9430	3.4880	5.1694	5.4341	4.1798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.518	N1	C2	O7	116.903
N1	C6	C5	123.916	N1	C6	H11	115.413
C2	N1	C6	117.272	C2	C3	C4	117.124
C2	C3	H8	120.088	C2	O7	H12	107.818
C3	C2	O7	118.579	C3	C4	C5	119.595
C3	C4	H9	119.973	C4	C3	H8	122.788
C4	C5	C6	117.576	C4	C5	H10	121.722
C5	C4	H9	120.432	C5	C6	H11	120.671
C6	C5	H10	120.702

All results from a given calculation for C₅H₅NO (2-Pyridinol)

using model chemistry: HF/Def2TZVPP

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	-0.454
2	C	0.451
3	C	-0.170
4	C	-0.030
5	C	-0.134
6	C	0.122
7	O	-0.382
8	H	0.098
9	H	0.097
10	H	0.091
11	H	0.080
12	H	0.231

	x	y	z	Total
	0.475	-1.237	0.000	1.325
CHELPG
AIM
ESP

	x	y	z
x	10.273	0.100	0.000
y	0.100	11.423	0.000
z	0.000	0.000	5.574

<r²>	173.324
(<r²>)^1/2	13.165

All results from a given calculation for C5H5NO (2-Pyridinol)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₅NO (2-Pyridinol)