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	hartrees
Energy at 0K	-208.858698
Energy at 298.15K
HF Energy	-208.044336
Nuclear repulsion energy	121.909223

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.918	-1.054	0.000
N3	0.285	1.367	0.000
O4	-1.297	-0.253	0.000
H5	1.958	-0.738	0.000
H6	0.722	-1.666	0.880
H7	0.722	-1.666	-0.880
H8	1.290	1.502	0.000
H9	-1.818	0.559	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4993	1.2674	1.3528	2.1426	2.1282	2.1282	1.8814	1.8675
C2	1.4993		2.5019	2.3549	1.0871	1.0900	1.0900	2.5826	3.1756
N3	1.2674	2.5019		2.2642	2.6888	3.1883	3.1883	1.0135	2.2531
O4	1.3528	2.3549	2.2642		3.2908	2.6168	2.6168	3.1256	0.9647
H5	2.1426	1.0871	2.6888	3.2908		1.7787	1.7787	2.3377	3.9926
H6	2.1282	1.0900	3.1883	2.6168	1.7787		1.7602	3.3368	3.4896
H7	2.1282	1.0900	3.1883	2.6168	1.7787	1.7602		3.3368	3.4896
H8	1.8814	2.5826	1.0135	3.1256	2.3377	3.3368	3.3368		3.2476
H9	1.8675	3.1756	2.2531	0.9647	3.9926	3.4896	3.4896	3.2476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.865	C1	C2	H6	109.540
C1	C2	H7	109.540	C1	N3	H8	110.657
C1	O4	H9	106.173	C2	C1	N3	129.261
C2	C1	O4	111.209	N3	C1	O4	119.530
H5	C2	H6	109.571	H5	C2	H7	109.571
H6	C2	H7	107.695

All results from a given calculation for CH₃C(OH)=NH (Ethaninidic acid)

using model chemistry: CCSD/daug-cc-pVTZ

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 CH3C(OH)=NH (Ethaninidic acid)

using model chemistry: CCSD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃C(OH)=NH (Ethaninidic acid)