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	hartrees
Energy at 0K	-323.489739
Energy at 298.15K	-323.496557
HF Energy	-323.489739
Nuclear repulsion energy	276.646776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3692	89.71
2	A'	3236	3095	1.69
3	A'	3230	3090	12.49
4	A'	3203	3064	9.98
5	A'	3190	3051	14.40
6	A'	1688	1615	102.44
7	A'	1664	1592	105.44
8	A'	1537	1470	168.14
9	A'	1509	1443	28.89
10	A'	1383	1323	60.50
11	A'	1356	1297	43.81
12	A'	1322	1264	15.77
13	A'	1222	1169	153.00
14	A'	1170	1119	27.54
15	A'	1120	1072	21.51
16	A'	1075	1028	3.73
17	A'	1017	972	8.09
18	A'	876	838	10.95
19	A'	645	617	2.71
20	A'	575	550	0.60
21	A'	427	409	17.49
22	A"	1015	971	0.00
23	A"	988	945	0.49
24	A"	886	848	3.03
25	A"	800	766	62.71
26	A"	761	728	8.94
27	A"	575	550	40.10
28	A"	509	487	88.20
29	A"	424	406	0.37
30	A"	218	208	0.96

Atom	x (Å)	y (Å)
N1	-1.178	0.300
C2	0.000	0.898
C3	1.225	0.228
C4	1.192	-1.152
C5	-0.037	-1.808
C6	-1.184	-1.037
O7	0.001	2.244
H8	2.149	0.790
H9	2.118	-1.715
H10	-0.101	-2.889
H11	-2.166	-1.500
H12	-0.927	2.502

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3212	2.4038	2.7791	2.3969	1.3371	2.2737	3.3628	3.8630	3.3653	2.0528	2.2166
C2	1.3212		1.3958	2.3706	2.7062	2.2687	1.3461	2.1514	3.3633	3.7877	3.2309	1.8532
C3	2.4038	1.3958		1.3796	2.3954	2.7209	2.3584	1.0817	2.1384	3.3867	3.8052	3.1311
C4	2.7791	2.3706	1.3796		1.3937	2.3790	3.5981	2.1643	1.0839	2.1656	3.3759	4.2237
C5	2.3969	2.7062	2.3954	1.3937		1.3820	4.0523	3.3955	2.1570	1.0822	2.1508	4.4013
C6	1.3371	2.2687	2.7209	2.3790	1.3820		3.4887	3.8011	3.3709	2.1449	1.0850	3.5488
O7	2.2737	1.3461	2.3584	3.5981	4.0523	3.4887		2.5937	4.4894	5.1335	4.3254	0.9635
H8	3.3628	2.1514	1.0817	2.1643	3.3955	3.8011	2.5937		2.5052	4.3120	4.8845	3.5205
H9	3.8630	3.3633	2.1384	1.0839	2.1570	3.3709	4.4894	2.5052		2.5101	4.2890	5.2017
H10	3.3653	3.7877	3.3867	2.1656	1.0822	2.1449	5.1335	4.3120	2.5101		2.4884	5.4537
H11	2.0528	3.2309	3.8052	3.3759	2.1508	1.0850	4.3254	4.8845	4.2890	2.4884		4.1892
H12	2.2166	1.8532	3.1311	4.2237	4.4013	3.5488	0.9635	3.5205	5.2017	5.4537	4.1892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.409	N1	C2	O7	116.947
N1	C6	C5	123.640	N1	C6	H11	115.492
C2	N1	C6	117.176	C2	C3	C4	117.325
C2	C3	H8	120.010	C2	O7	H12	105.513
C3	C2	O7	118.644	C3	C4	C5	119.474
C3	C4	H9	119.982	C4	C3	H8	122.665
C4	C5	C6	117.977	C4	C5	H10	121.501
C5	C4	H9	120.544	C5	C6	H11	120.868
C6	C5	H10	120.522

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

using model chemistry: wB97X-D/6-311G**

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	-0.381
2	C	0.366
3	C	-0.208
4	C	-0.011
5	C	-0.223
6	C	0.065
7	O	-0.357
8	H	0.128
9	H	0.121
10	H	0.115
11	H	0.127
12	H	0.257

	x	y	z	Total
	0.413	-1.166	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	10.126	0.062	0.000
y	0.062	11.671	0.000
z	0.000	0.000	4.206

<r²>	175.180
(<r²>)^1/2	13.236

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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