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	hartrees
Energy at 0K	-322.574285
Energy at 298.15K
HF Energy	-321.559717
Nuclear repulsion energy	273.821842

Atom	x (Å)	y (Å)
N1	-1.732	0.000
C2	-1.047	-1.192
C3	0.307	-1.232
C4	1.115	0.000
C5	0.307	1.232
C6	-1.047	1.192
O7	2.341	0.000
H8	-1.661	-2.081
H9	0.826	-2.177
H10	0.826	2.177
H11	-1.661	2.081
H12	-2.733	-0.000

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3747	2.3814	2.8464	2.3814	1.3747	4.0722	2.0826	3.3584	3.3584	2.0826	1.0017
C2	1.3747		1.3546	2.4692	2.7765	2.3847	3.5918	1.0803	2.1162	3.8549	3.3308	2.0649
C3	2.3814	1.3546		1.4731	2.4631	2.7765	2.3778	2.1434	1.0784	3.4476	3.8533	3.2799
C4	2.8464	2.4692	1.4731		1.4731	2.4692	1.2258	3.4695	2.1958	2.1958	3.4695	3.8481
C5	2.3814	2.7765	2.4631	1.4731		1.3546	2.3778	3.8533	3.4476	1.0784	2.1434	3.2799
C6	1.3747	2.3847	2.7765	2.4692	1.3546		3.5918	3.3308	3.8549	2.1162	1.0803	2.0649
O7	4.0722	3.5918	2.3778	1.2258	2.3778	3.5918		4.5106	2.6519	2.6519	4.5106	5.0740
H8	2.0826	1.0803	2.1434	3.4695	3.8533	3.3308	4.5106		2.4887	4.9312	4.1628	2.3414
H9	3.3584	2.1162	1.0784	2.1958	3.4476	3.8549	2.6519	2.4887		4.3535	4.9312	4.1720
H10	3.3584	3.8549	3.4476	2.1958	1.0784	2.1162	2.6519	4.9312	4.3535		2.4887	4.1720
H11	2.0826	3.3308	3.8533	3.4695	2.1434	1.0803	4.5106	4.1628	4.9312	2.4887		2.3414
H12	1.0017	2.0649	3.2799	3.8481	3.2799	2.0649	5.0740	2.3414	4.1720	4.1720	2.3414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.505	N1	C2	H8	115.541
N1	C6	C5	121.505	N1	C6	H11	115.541
C2	N1	C6	120.307	C2	N1	H12	119.846
C2	C3	C4	121.615	C2	C3	H9	120.440
C3	C2	H8	122.954	C3	C4	C5	113.453
C3	C4	O7	123.273	C4	C3	H9	117.945
C4	C5	C6	121.615	C4	C5	H10	117.945
C5	C4	O7	123.273	C5	C6	H11	122.954
C6	N1	H12	119.847	C6	C5	H10	120.440

All results from a given calculation for C₅H₅NO (4(1H)-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(1H)-Pryidinone)

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

States and conformations

All results from a given calculation for C₅H₅NO (4(1H)-Pryidinone)