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	hartrees
Energy at 0K	-321.680874
Energy at 298.15K	-321.687997
Nuclear repulsion energy	278.878198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4151	3771	136.47
2	A'	3366	3058	1.61
3	A'	3358	3051	14.25
4	A'	3327	3023	16.12
5	A'	3320	3016	8.24
6	A'	1795	1631	124.83
7	A'	1773	1611	181.60
8	A'	1644	1493	147.15
9	A'	1605	1458	77.17
10	A'	1475	1340	14.81
11	A'	1438	1307	85.34
12	A'	1330	1209	108.38
13	A'	1292	1174	72.47
14	A'	1199	1089	6.23
15	A'	1173	1066	66.50
16	A'	1130	1027	5.84
17	A'	1077	979	15.71
18	A'	921	837	8.68
19	A'	686	623	2.90
20	A'	610	554	1.03
21	A'	459	417	18.26
22	A"	1128	1025	0.44
23	A"	1109	1008	0.49
24	A"	968	880	6.43
25	A"	876	796	72.78
26	A"	833	757	11.08
27	A"	594	540	1.46
28	A"	505	459	131.32
29	A"	461	419	0.71
30	A"	243	221	1.55

Atom	x (Å)	y (Å)
N1	-1.161	0.303
C2	0.000	0.895
C3	1.218	0.217
C4	1.173	-1.151
C5	-0.057	-1.802
C6	-1.185	-1.023
O7	0.021	2.226
H8	2.137	0.767
H9	2.086	-1.716
H10	-0.128	-2.870
H11	-2.160	-1.473
H12	-0.868	2.541

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3030	2.3798	2.7493	2.3764	1.3263	2.2568	3.3298	3.8232	3.3374	2.0383	2.2573
C2	1.3030		1.3936	2.3582	2.6974	2.2548	1.3309	2.1405	3.3423	3.7679	3.2058	1.8606
C3	2.3798	1.3936		1.3686	2.3876	2.7039	2.3382	1.0708	2.1197	3.3681	3.7774	3.1223
C4	2.7493	2.3582	1.3686		1.3916	2.3614	3.5677	2.1459	1.0738	2.1564	3.3489	4.2182
C5	2.3764	2.6974	2.3876	1.3916		1.3705	4.0282	3.3777	2.1443	1.0712	2.1288	4.4178
C6	1.3263	2.2548	2.7039	2.3614	1.3705		3.4655	3.7732	3.3433	2.1285	1.0743	3.5784
O7	2.2568	1.3309	2.3382	3.5677	4.0282	3.4655		2.5703	4.4505	5.0986	4.2943	0.9426
H8	3.3298	2.1405	1.0708	2.1459	3.3777	3.7732	2.5703		2.4838	4.2845	4.8459	3.4892
H9	3.8232	3.3423	2.1197	1.0738	2.1443	3.3433	4.4505	2.4838		2.4961	4.2529	5.1816
H10	3.3374	3.7679	3.3681	2.1564	1.0712	2.1285	5.0986	4.2845	2.4961		2.4665	5.4620
H11	2.0383	3.2058	3.7774	3.3489	2.1288	1.0743	4.2943	4.8459	4.2529	2.4665		4.2175
H12	2.2573	1.8606	3.1223	4.2182	4.4178	3.5784	0.9426	3.4892	5.1816	5.4620	4.2175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.861	N1	C2	O7	117.921
N1	C6	C5	123.561	N1	C6	H11	115.826
C2	N1	C6	118.083	C2	C3	C4	117.238
C2	C3	H8	120.018	C2	O7	H12	108.651
C3	C2	O7	118.218	C3	C4	C5	119.760
C3	C4	H9	119.935	C4	C3	H8	122.744
C4	C5	C6	117.498	C4	C5	H10	121.676
C5	C4	H9	120.305	C5	C6	H11	120.613
C6	C5	H10	120.826

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

using model chemistry: HF/6-311+G(3df,2p)

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	-1.378
2	C	0.911
3	C	0.052
4	C	0.409
5	C	-0.094
6	C	0.155
7	O	-0.817
8	H	0.131
9	H	0.123
10	H	0.121
11	H	0.124
12	H	0.262

	x	y	z	Total
	0.517	-1.261	0.000	1.363
CHELPG
AIM
ESP

	x	y	z
x	10.628	0.095	0.000
y	0.095	11.800	0.000
z	0.000	0.000	6.162

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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