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	hartrees
Energy at 0K	-322.593944
Energy at 298.15K
HF Energy	-321.578909
Nuclear repulsion energy	275.685079

Atom	x (Å)	y (Å)
N1	-1.181	0.305
C2	0.000	0.905
C3	1.229	0.220
C4	1.189	-1.163
C5	-0.052	-1.819
C6	-1.199	-1.040
O7	0.025	2.257
H8	2.153	0.776
H9	2.109	-1.732
H10	-0.117	-2.896
H11	-2.180	-1.499
H12	-0.893	2.546

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3248	2.4114	2.7883	2.4062	1.3460	2.2944	3.3670	3.8695	3.3735	2.0623	2.2587
C2	1.3248		1.4065	2.3856	2.7246	2.2855	1.3522	2.1564	3.3760	3.8026	3.2452	1.8681
C3	2.4114	1.4065		1.3841	2.4078	2.7358	2.3657	1.0784	2.1409	3.3941	3.8175	3.1480
C4	2.7883	2.3856	1.3841		1.4031	2.3914	3.6128	2.1658	1.0811	2.1695	3.3853	4.2534
C5	2.4062	2.7246	2.4078	1.4031		1.3870	4.0768	3.4050	2.1620	1.0787	2.1521	4.4452
C6	1.3460	2.2855	2.7358	2.3914	1.3870		3.5174	3.8126	3.3795	2.1480	1.0824	3.5992
O7	2.2944	1.3522	2.3657	3.6128	4.0768	3.5174		2.5920	4.4998	5.1547	4.3554	0.9627
H8	3.3670	2.1564	1.0784	2.1658	3.4050	3.8126	2.5920		2.5081	4.3168	4.8935	3.5224
H9	3.8695	3.3760	2.1409	1.0811	2.1620	3.3795	4.4998	2.5081		2.5118	4.2948	5.2254
H10	3.3735	3.8026	3.3941	2.1695	1.0787	2.1480	5.1547	4.3168	2.5118		2.4912	5.4966
H11	2.0623	3.2452	3.8175	3.3853	2.1521	1.0824	4.3554	4.8935	4.2948	2.4912		4.2445
H12	2.2587	1.8681	3.1480	4.2534	4.4452	3.5992	0.9627	3.5224	5.2254	5.4966	4.2445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.956	N1	C2	O7	117.975
N1	C6	C5	123.383	N1	C6	H11	115.841
C2	N1	C6	117.679	C2	C3	C4	117.489
C2	C3	H8	119.828	C2	O7	H12	106.390
C3	C2	O7	118.068	C3	C4	C5	119.511
C3	C4	H9	120.056	C4	C3	H8	122.683
C4	C5	C6	117.982	C4	C5	H10	121.343
C5	C4	H9	120.434	C5	C6	H11	120.776
C6	C5	H10	120.675

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

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

States and conformations

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