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	hartrees
Energy at 0K	-322.580164
Energy at 298.15K
HF Energy	-321.568764
Nuclear repulsion energy	273.234688

Atom	x (Å)	y (Å)
N1	-1.212	-1.162
C2	-1.189	0.179
C3	0.000	0.925
C4	1.221	0.242
C5	1.196	-1.152
C6	-0.039	-1.814
O7	0.025	2.292
H8	-2.151	0.686
H9	2.148	0.802
H10	2.119	-1.719
H11	-0.086	-2.897
H12	-0.877	2.642

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3415	2.4137	2.8091	2.4088	1.3420	3.6691	2.0733	3.8920	3.3779	2.0686	3.8185
C2	1.3415		1.4032	2.4100	2.7316	2.3009	2.4365	1.0882	3.3939	3.8138	3.2680	2.4821
C3	2.4137	1.4032		1.3988	2.3974	2.7394	1.3674	2.1646	2.1512	3.3885	3.8233	1.9274
C4	2.8091	2.4100	1.3988		1.3947	2.4115	2.3735	3.4012	1.0831	2.1570	3.4005	3.1869
C5	2.4088	2.7316	2.3974	1.3947		1.4017	3.6385	3.8196	2.1738	1.0829	2.1656	4.3235
C6	1.3420	2.3009	2.7394	2.4115	1.4017		4.1068	3.2731	3.4099	2.1608	1.0842	4.5337
O7	3.6691	2.4365	1.3674	2.3735	3.6385	4.1068		2.7043	2.5938	4.5251	5.1907	0.9665
H8	2.0733	1.0882	2.1646	3.4012	3.8196	3.2731	2.7043		4.3006	4.9014	4.1361	2.3342
H9	3.8920	3.3939	2.1512	1.0831	2.1738	3.4099	2.5938	4.3006		2.5212	4.3216	3.5397
H10	3.3779	3.8138	3.3885	2.1570	1.0829	2.1608	4.5251	4.9014	2.5212		2.5007	5.2905
H11	2.0686	3.2680	3.8233	3.4005	2.1656	1.0842	5.1907	4.1361	4.3216	2.5007		5.5950
H12	3.8185	2.4821	1.9274	3.1869	4.3235	4.5337	0.9665	2.3342	3.5397	5.2905	5.5950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	123.124	N1	C2	H8	116.762
N1	C6	C5	122.768	N1	C6	H11	116.584
C2	N1	C6	118.051	C2	C3	C4	118.664
C2	C3	O7	123.139	C3	C2	H8	120.114
C3	C4	C5	118.233	C3	C4	H9	119.631
C3	O7	H12	110.166	C4	C3	O7	118.197
C4	C5	C6	119.160	C4	C5	H10	120.544
C5	C4	H9	122.137	C5	C6	H11	120.648
C6	C5	H10	120.296

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

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

States and conformations

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