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	hartrees
Energy at 0K	-322.646036
Energy at 298.15K	-322.652686
HF Energy	-321.589314
Nuclear repulsion energy	275.609798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3910	3642	91.09
2	A'	3321	3094	1.32
3	A'	3314	3087	11.82
4	A'	3289	3064	11.39
5	A'	3282	3057	6.86
6	A'	1718	1600	78.47
7	A'	1692	1576	94.29
8	A'	1565	1458	136.59
9	A'	1533	1428	42.95
10	A'	1403	1307	23.24
11	A'	1369	1275	77.87
12	A'	1306	1217	20.43
13	A'	1237	1152	126.79
14	A'	1186	1104	42.98
15	A'	1140	1062	26.30
16	A'	1090	1016	4.13
17	A'	1034	963	7.95
18	A'	878	818	14.87
19	A'	649	605	2.32
20	A'	577	537	0.50
21	A'	425	396	18.12
22	A"	967	900	0.14
23	A"	947	882	2.17
24	A"	869	810	0.19
25	A"	779	726	71.25
26	A"	680	634	4.48
27	A"	520	484	7.02
28	A"	463	431	132.43
29	A"	404	377	0.46
30	A"	216	201	0.68

Atom	x (Å)	y (Å)
N1	-1.180	0.304
C2	0.000	0.905
C3	1.228	0.220
C4	1.188	-1.164
C5	-0.052	-1.821
C6	-1.200	-1.042
O7	0.026	2.258
H8	2.152	0.775
H9	2.108	-1.731
H10	-0.118	-2.897
H11	-2.180	-1.499
H12	-0.887	2.564

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3243	2.4098	2.7865	2.4057	1.3462	2.2963	3.3656	3.8669	3.3726	2.0617	2.2791
C2	1.3243		1.4060	2.3856	2.7261	2.2872	1.3536	2.1561	3.3750	3.8035	3.2452	1.8820
C3	2.4098	1.4060		1.3847	2.4093	2.7369	2.3661	1.0780	2.1405	3.3953	3.8174	3.1576
C4	2.7865	2.3856	1.3847		1.4036	2.3917	3.6140	2.1655	1.0804	2.1702	3.3851	4.2671
C5	2.4057	2.7261	2.4093	1.4036		1.3874	4.0796	3.4056	2.1617	1.0781	2.1523	4.4640
C6	1.3462	2.2872	2.7369	2.3917	1.3874		3.5206	3.8134	3.3791	2.1476	1.0811	3.6199
O7	2.2963	1.3536	2.3661	3.6140	4.0796	3.5206		2.5924	4.4998	5.1570	4.3568	0.9633
H8	3.3656	2.1561	1.0780	2.1655	3.4056	3.8134	2.5924		2.5068	4.3172	4.8931	3.5272
H9	3.8669	3.3750	2.1405	1.0804	2.1617	3.3791	4.4998	2.5068		2.5125	4.2943	5.2367
H10	3.3726	3.8035	3.3953	2.1702	1.0781	2.1476	5.1570	4.3172	2.5125		2.4915	5.5152
H11	2.0617	3.2452	3.8174	3.3851	2.1523	1.0811	4.3568	4.8931	4.2943	2.4915		4.2639
H12	2.2791	1.8820	3.1576	4.2671	4.4640	3.6199	0.9633	3.5272	5.2367	5.5152	4.2639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.888	N1	C2	O7	118.068
N1	C6	C5	123.288	N1	C6	H11	115.854
C2	N1	C6	117.833	C2	C3	C4	117.489
C2	C3	H8	119.876	C2	O7	H12	107.442
C3	C2	O7	118.044	C3	C4	C5	119.554
C3	C4	H9	120.026	C4	C3	H8	122.635
C4	C5	C6	117.949	C4	C5	H10	121.407
C5	C4	H9	120.420	C5	C6	H11	120.858
C6	C5	H10	120.643

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

using model chemistry: MP3=FULL/6-31+G**

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

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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