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	hartrees
Energy at 0K	-322.582066
Energy at 298.15K
HF Energy	-321.566481
Nuclear repulsion energy	274.164180

Atom	x (Å)	y (Å)
N1	0.017	-1.876
C2	-1.124	-1.182
C3	-1.195	0.212
C4	0.000	0.934
C5	1.206	0.228
C6	1.153	-1.162
O7	0.056	2.290
H8	-2.040	-1.761
H9	-2.153	0.713
H10	2.144	0.760
H11	2.074	-1.731
H12	-0.833	2.652

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3360	2.4140	2.8101	2.4164	1.3415	4.1667	2.0602	3.3785	3.3872	2.0621	4.6072
C2	1.3360		1.3957	2.3964	2.7236	2.2776	3.6678	1.0830	2.1566	3.8021	3.2455	3.8452
C3	2.4140	1.3957		1.3960	2.4004	2.7202	2.4259	2.1463	1.0815	3.3835	3.8027	2.4669
C4	2.8101	2.3964	1.3960		1.3972	2.3925	1.3575	3.3800	2.1639	2.1511	3.3773	1.9093
C5	2.4164	2.7236	2.4004	1.3972		1.3912	2.3613	3.8065	3.3933	1.0788	2.1430	3.1675
C6	1.3415	2.2776	2.7202	2.3925	1.3912		3.6228	3.2485	3.8009	2.1628	1.0827	4.3004
O7	4.1667	3.6678	2.4259	1.3575	2.3613	3.6228		4.5615	2.7139	2.5888	4.4996	0.9599
H8	2.0602	1.0830	2.1463	3.3800	3.8065	3.2485	4.5615		2.4772	4.8848	4.1141	4.5751
H9	3.3785	2.1566	1.0815	2.1639	3.3933	3.8009	2.7139	2.4772		4.2970	4.8830	2.3449
H10	3.3872	3.8021	3.3835	2.1511	1.0788	2.1628	2.5888	4.8848	4.2970		2.4923	3.5275
H11	2.0621	3.2455	3.8027	3.3773	2.1430	1.0827	4.4996	4.1141	4.8830	2.4923		5.2598
H12	4.6072	3.8452	2.4669	1.9093	3.1675	4.3004	0.9599	4.5751	2.3449	3.5275	5.2598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	124.172	N1	C2	H8	116.395
N1	C6	C5	124.314	N1	C6	H11	116.151
C2	N1	C6	116.564	C2	C3	C4	118.276
C2	C3	H9	120.525	C3	C2	H8	119.434
C3	C4	C5	118.486	C3	C4	O7	123.523
C4	C3	H9	121.199	C4	C5	C6	118.189
C4	C5	H10	120.086	C4	O7	H12	109.761
C5	C4	O7	117.990	C5	C6	H11	119.535
C6	C5	H10	121.725

All results from a given calculation for C₅H₅NO (4-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 (4-Pyridinol)

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

States and conformations

All results from a given calculation for C₅H₅NO (4-Pyridinol)