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	hartrees
Energy at 0K	-322.578904
Energy at 298.15K
HF Energy	-321.560190
Nuclear repulsion energy	274.226493

Atom	x (Å)	y (Å)
N1	-1.208	-1.159
C2	-1.184	0.177
C3	0.000	0.922
C4	1.220	0.243
C5	1.195	-1.147
C6	-0.039	-1.806
O7	0.020	2.285
H8	-2.144	0.684
H9	2.143	0.803
H10	2.114	-1.713
H11	-0.085	-2.887
H12	-0.881	2.617

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3364	2.4066	2.8036	2.4025	1.3357	3.6562	2.0670	3.8834	3.3680	2.0606	3.7908
C2	1.3364		1.3989	2.4045	2.7221	2.2897	2.4272	1.0854	3.3855	3.8013	3.2551	2.4592
C3	2.4066	1.3989		1.3961	2.3894	2.7288	1.3626	2.1569	2.1466	3.3787	3.8103	1.9103
C4	2.8036	2.4045	1.3961		1.3903	2.4051	2.3681	3.3922	1.0801	2.1510	3.3911	3.1701
C5	2.4025	2.7221	2.3894	1.3903		1.3989	3.6273	3.8073	2.1687	1.0800	2.1598	4.2986
C6	1.3357	2.2897	2.7288	2.4051	1.3989		4.0913	3.2601	3.4018	2.1556	1.0818	4.5029
O7	3.6562	2.4272	1.3626	2.3681	3.6273	4.0913		2.6914	2.5892	4.5133	5.1728	0.9600
H8	2.0670	1.0854	2.1569	3.3922	3.8073	3.2601	2.6914		4.2886	4.8862	4.1218	2.3096
H9	3.8834	3.3855	2.1466	1.0801	2.1687	3.4018	2.5892	4.2886		2.5164	4.3107	3.5265
H10	3.3680	3.8013	3.3787	2.1510	1.0800	2.1556	4.5133	4.8862	2.5164		2.4929	5.2653
H11	2.0606	3.2551	3.8103	3.3911	2.1598	1.0818	5.1728	4.1218	4.3107	2.4929		5.5617
H12	3.7908	2.4592	1.9103	3.1701	4.2986	4.5029	0.9600	2.3096	3.5265	5.2653	5.5617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.227	N1	C2	H8	116.804
N1	C6	C5	122.919	N1	C6	H11	116.548
C2	N1	C6	117.937	C2	C3	C4	118.693
C2	C3	O7	123.029	C3	C2	H8	119.969
C3	C4	C5	118.075	C3	C4	H9	119.655
C3	O7	H12	109.444	C4	C3	O7	118.278
C4	C5	C6	119.149	C4	C5	H10	120.576
C5	C4	H9	122.270	C5	C6	H11	120.533
C6	C5	H10	120.275

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

using model chemistry: MP3/6-31+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 (3-Pyridinol)

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

States and conformations

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