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	hartrees
Energy at 0K	-322.552499
Energy at 298.15K
HF Energy	-321.538770
Nuclear repulsion energy	271.481229

Atom	x (Å)	y (Å)	z (Å)
N1	0.080	-1.844	0.000
C2	-1.054	-1.250	0.000
C3	-1.273	0.240	0.000
C4	0.000	1.081	0.000
C5	1.262	0.314	0.000
C6	1.245	-1.033	0.000
O7	-0.039	2.295	0.000
H8	-1.944	-1.874	0.000
H9	-1.872	0.521	0.869
H10	2.188	0.870	0.000
H11	2.167	-1.599	0.000
H12	-1.872	0.521	-0.869

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2795	2.4843	2.9256	2.4602	1.4197	4.1409	2.0238	3.1872	3.4363	2.1012	3.1872
C2	1.2795		1.5063	2.5582	2.7947	2.3093	3.6881	1.0870	2.1362	3.8733	3.2392	2.1362
C3	2.4843	1.5063		1.5256	2.5365	2.8218	2.3975	2.2181	1.0926	3.5176	3.9004	1.0926
C4	2.9256	2.5582	1.5256		1.4773	2.4535	1.2152	3.5370	2.1386	2.1979	3.4461	2.1386
C5	2.4602	2.7947	2.5365	1.4773		1.3468	2.3709	3.8815	3.2594	1.0797	2.1156	3.2594
C6	1.4197	2.3093	2.8218	2.4535	1.3468		3.5677	3.2982	3.5902	2.1237	1.0812	3.5902
O7	4.1409	3.6881	2.3975	1.2152	2.3709	3.5677		4.5842	2.6953	2.6438	4.4756	2.6953
H8	2.0238	1.0870	2.2181	3.5370	3.8815	3.2982	4.5842		2.5492	4.9599	4.1197	2.5492
H9	3.1872	2.1362	1.0926	2.1386	3.2594	3.5902	2.6953	2.5492		4.1665	4.6435	1.7388
H10	3.4363	3.8733	3.5176	2.1979	1.0797	2.1237	2.6438	4.9599	4.1665		2.4691	4.1665
H11	2.1012	3.2392	3.9004	3.4461	2.1156	1.0812	4.4756	4.1197	4.6435	2.4691		4.6435
H12	3.1872	2.1362	1.0926	2.1386	3.2594	3.5902	2.6953	2.5492	1.7388	4.1665	4.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.004	N1	C2	H8	117.337
N1	C6	C5	125.545	N1	C6	H11	113.626
C2	N1	C6	117.549	C2	C3	C4	115.075
C2	C3	H9	109.535	C2	C3	H12	109.535
C3	C2	H8	116.659	C3	C4	C5	115.267
C3	C4	O7	121.612	C4	C3	H9	108.403
C4	C3	H12	108.403	C4	C5	C6	120.561
C4	C5	H10	117.691	C5	C4	O7	123.121
C5	C6	H11	120.829	C6	C5	H10	121.748
H9	C3	H12	105.445

All results from a given calculation for C₅H₅NO (4(3H)-Pryidinone)

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(3H)-Pryidinone)

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

States and conformations

All results from a given calculation for C₅H₅NO (4(3H)-Pryidinone)