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	hartrees
Energy at 0K	-319.286515
Energy at 298.15K	-319.292806
Nuclear repulsion energy	270.745580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3739	3301	8.55
2	A'	3507	3097	12.69
3	A'	3500	3091	15.73
4	A'	3481	3074	0.37
5	A'	3449	3045	1.78
6	A'	1754	1549	54.21
7	A'	1724	1523	23.96
8	A'	1592	1406	30.95
9	A'	1573	1389	151.22
10	A'	1463	1291	38.18
11	A'	1409	1244	41.14
12	A'	1311	1158	34.42
13	A'	1261	1113	14.93
14	A'	1223	1080	10.38
15	A'	1160	1025	8.46
16	A'	1115	985	1.66
17	A'	1014	895	3.21
18	A'	875	773	2.10
19	A'	648	572	1.45
20	A'	550	486	0.17
21	A'	375	331	11.12
22	A"	1056	933	0.08
23	A"	1014	895	0.25
24	A"	922	814	0.55
25	A"	810	715	32.93
26	A"	757	668	2.18
27	A"	633	559	78.27
28	A"	518	457	5.70
29	A"	416	367	0.00
30	A"	220	195	0.46

Atom	x (Å)	y (Å)
N1	-1.243	0.297
C2	0.000	0.907
C3	1.248	0.237
C4	1.235	-1.156
C5	0.002	-1.831
C6	-1.179	-1.080
O7	-0.032	2.301
H8	2.178	0.814
H9	2.178	-1.716
H10	-0.040	-2.925
H11	-2.155	-1.590
H12	-1.043	2.462

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3847	2.4919	2.8723	2.4658	1.3785	2.3420	3.4603	3.9691	3.4388	2.0959	2.1741
C2	1.3847		1.4167	2.4044	2.7387	2.3111	1.3945	2.1804	3.4097	3.8322	3.2987	1.8718
C3	2.4919	1.4167		1.3932	2.4150	2.7622	2.4287	1.0944	2.1637	3.4145	3.8631	3.1933
C4	2.8723	2.4044	1.3932		1.4057	2.4155	3.6819	2.1842	1.0969	2.1805	3.4179	4.2749
C5	2.4658	2.7387	2.4150	1.4057		1.4002	4.1329	3.4256	2.1784	1.0941	2.1710	4.4185
C6	1.3785	2.3111	2.7622	2.4155	1.4002		3.5710	3.8553	3.4168	2.1680	1.1010	3.5445
O7	2.3420	1.3945	2.4287	3.6819	4.1329	3.5710		2.6641	4.5853	5.2261	4.4330	1.0237
H8	3.4603	2.1804	1.0944	2.1842	3.4256	3.8553	2.6641		2.5306	4.3474	4.9559	3.6182
H9	3.9691	3.4097	2.1637	1.0969	2.1784	3.4168	4.5853	2.5306		2.5254	4.3347	5.2753
H10	3.4388	3.8322	3.4145	2.1805	1.0941	2.1680	5.2261	4.3474	2.5254		2.5011	5.4789
H11	2.0959	3.2987	3.8631	3.4179	2.1710	1.1010	4.4330	4.9559	4.3347	2.5011		4.2016
H12	2.1741	1.8718	3.1933	4.2749	4.4185	3.5445	1.0237	3.6182	5.2753	5.4789	4.2016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.625	N1	C2	O7	114.848
N1	C6	C5	125.086	N1	C6	H11	114.941
C2	N1	C6	113.514	C2	C3	C4	117.672
C2	C3	H8	119.981	C2	O7	H12	100.318
C3	C2	O7	119.527	C3	C4	C5	119.274
C3	C4	H9	120.198	C4	C3	H8	122.348
C4	C5	C6	118.830	C4	C5	H10	120.940
C5	C4	H9	120.528	C5	C6	H11	119.973
C6	C5	H10	120.230

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

using model chemistry: B1B95/STO-3G

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	-0.261
2	C	0.163
3	C	-0.105
4	C	-0.071
5	C	-0.102
6	C	0.002
7	O	-0.217
8	H	0.096
9	H	0.092
10	H	0.088
11	H	0.090
12	H	0.225

	x	y	z	Total
	0.423	-0.671	0.000	0.793
CHELPG
AIM
ESP

	x	y	z
x	6.685	-0.127	0.000
y	-0.127	8.388	0.000
z	0.000	0.000	1.030

<r²>	179.566
(<r²>)^1/2	13.400

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

using model chemistry: B1B95/STO-3G

States and conformations

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