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	hartrees
Energy at 0K	-322.582952
Energy at 298.15K
HF Energy	-321.575265
Nuclear repulsion energy	273.195380

Atom	x (Å)	y (Å)
N1	0.017	-1.881
C2	-1.131	-1.186
C3	-1.198	0.211
C4	0.000	0.935
C5	1.208	0.228
C6	1.158	-1.166
O7	0.059	2.297
H8	-2.049	-1.766
H9	-2.159	0.714
H10	2.149	0.762
H11	2.082	-1.736
H12	-0.831	2.674

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3420	2.4194	2.8160	2.4221	1.3466	4.1785	2.0689	3.3865	3.3955	2.0697	4.6332
C2	1.3420		1.3989	2.4037	2.7331	2.2893	3.6809	1.0854	2.1602	3.8148	3.2594	3.8716
C3	2.4194	1.3989		1.3996	2.4057	2.7292	2.4352	2.1523	1.0844	3.3919	3.8140	2.4898
C4	2.8160	2.4037	1.3996		1.3993	2.3992	1.3636	3.3898	2.1700	2.1560	3.3862	1.9274
C5	2.4221	2.7331	2.4057	1.3993		1.3952	2.3668	3.8183	3.4013	1.0820	2.1496	3.1841
C6	1.3466	2.2893	2.7292	2.3992	1.3952		3.6338	3.2624	3.8128	2.1676	1.0850	4.3248
O7	4.1785	3.6809	2.4352	1.3636	2.3668	3.6338		4.5770	2.7246	2.5938	4.5120	0.9662
H8	2.0689	1.0854	2.1523	3.3898	3.8183	3.2624	4.5770		2.4822	4.8999	4.1304	4.6035
H9	3.3865	2.1602	1.0844	2.1700	3.4013	3.8128	2.7246	2.4822		4.3080	4.8972	2.3672
H10	3.3955	3.8148	3.3919	2.1560	1.0820	2.1676	2.5938	4.8999	4.3080		2.4984	3.5409
H11	2.0697	3.2594	3.8140	3.3862	2.1496	1.0850	4.5120	4.1304	4.8972	2.4984		5.2849
H12	4.6332	3.8716	2.4898	1.9274	3.1841	4.3248	0.9662	4.6035	2.3672	3.5409	5.2849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.929	N1	C2	H8	116.531
N1	C6	C5	124.097	N1	C6	H11	116.266
C2	N1	C6	116.746	C2	C3	C4	118.397
C2	C3	H9	120.362	C3	C2	H8	119.540
C3	C4	C5	118.525	C3	C4	O7	123.600
C4	C3	H9	121.241	C4	C5	C6	118.306
C4	C5	H10	120.119	C4	O7	H12	110.477
C5	C4	O7	117.875	C5	C6	H11	119.637
C6	C5	H10	121.575

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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