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	hartrees
Energy at 0K	-322.564429
Energy at 298.15K	-322.570953
HF Energy	-321.546182
Nuclear repulsion energy	274.236011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3811	3576	57.02
2	A'	3271	3069	4.89
3	A'	3257	3057	13.25
4	A'	3240	3040	6.92
5	A'	3201	3003	26.73
6	A'	1709	1603	23.68
7	A'	1701	1596	19.50
8	A'	1579	1482	21.67
9	A'	1523	1429	124.58
10	A'	1417	1329	27.40
11	A'	1353	1270	38.85
12	A'	1305	1225	117.71
13	A'	1267	1189	37.31
14	A'	1215	1140	42.76
15	A'	1162	1091	10.46
16	A'	1095	1027	2.07
17	A'	1059	994	6.61
18	A'	863	809	7.49
19	A'	646	607	3.81
20	A'	561	527	5.66
21	A'	403	378	14.83
22	A"	952	893	0.01
23	A"	929	872	0.36
24	A"	895	839	0.51
25	A"	803	754	58.18
26	A"	684	642	7.20
27	A"	520	488	0.06
28	A"	419	393	5.52
29	A"	337	316	142.37
30	A"	236	222	0.35

Atom	x (Å)	y (Å)
N1	-1.206	-1.158
C2	-1.183	0.177
C3	0.000	0.921
C4	1.219	0.243
C5	1.194	-1.146
C6	-0.039	-1.805
O7	0.019	2.283
H8	-2.149	0.683
H9	2.147	0.806
H10	2.119	-1.715
H11	-0.086	-2.891
H12	-0.889	2.618

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3354	2.4042	2.8010	2.4004	1.3347	3.6535	2.0686	3.8866	3.3715	2.0634	3.7902
C2	1.3354		1.3975	2.4025	2.7201	2.2883	2.4254	1.0910	3.3889	3.8051	3.2582	2.4593
C3	2.4042	1.3975		1.3948	2.3873	2.7265	1.3622	2.1625	2.1503	3.3820	3.8136	1.9157
C4	2.8010	2.4025	1.3948		1.3892	2.4033	2.3667	3.3967	1.0858	2.1548	3.3953	3.1754
C5	2.4004	2.7201	2.3873	1.3892		1.3979	3.6248	3.8108	2.1723	1.0858	2.1647	4.3021
C6	1.3347	2.2883	2.7265	2.4033	1.3979		4.0887	3.2625	3.4053	2.1595	1.0874	4.5044
O7	3.6535	2.4254	1.3622	2.3667	3.6248	4.0887		2.6954	2.5904	4.5157	5.1757	0.9678
H8	2.0686	1.0910	2.1625	3.3967	3.8108	3.2625	2.6954		4.2984	4.8955	4.1267	2.3101
H9	3.8866	3.3889	2.1503	1.0858	2.1723	3.4053	2.5904	4.2984		2.5209	4.3197	3.5357
H10	3.3715	3.8051	3.3820	2.1548	1.0858	2.1595	4.5157	4.8955	2.5209		2.4996	5.2746
H11	2.0634	3.2582	3.8136	3.3953	2.1647	1.0874	5.1757	4.1267	4.3197	2.4996		5.5679
H12	3.7902	2.4593	1.9157	3.1754	4.3021	4.5044	0.9678	2.3101	3.5357	5.2746	5.5679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.200	N1	C2	H8	116.615
N1	C6	C5	122.893	N1	C6	H11	116.464
C2	N1	C6	117.963	C2	C3	C4	118.720
C2	C3	O7	123.002	C3	C2	H8	120.185
C3	C4	C5	118.072	C3	C4	H9	119.675
C3	O7	H12	109.445	C4	C3	O7	118.278
C4	C5	C6	119.152	C4	C5	H10	120.568
C5	C4	H9	122.253	C5	C6	H11	120.643
C6	C5	H10	120.280

All results from a given calculation for C₅H₅NO (3-Pyridinol)

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

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 (3-Pyridinol)

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

States and conformations

All results from a given calculation for C₅H₅NO (3-Pyridinol)