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	hartrees
Energy at 0K	-208.851081
Energy at 298.15K
HF Energy	-208.044278
Nuclear repulsion energy	122.024483

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.913	-1.056	0.000
N3	0.291	1.364	0.000
O4	-1.297	-0.247	0.000
H5	1.954	-0.745	0.000
H6	0.715	-1.668	0.880
H7	0.715	-1.668	-0.880
H8	1.295	1.494	0.000
H9	-1.817	0.563	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4987	1.2650	1.3514	2.1422	2.1277	2.1277	1.8793	1.8677
C2	1.4987		2.4984	2.3532	1.0867	1.0897	1.0897	2.5788	3.1744
N3	1.2650	2.4984		2.2618	2.6858	3.1851	3.1851	1.0128	2.2549
O4	1.3514	2.3532	2.2618		3.2890	2.6155	2.6155	3.1228	0.9633
H5	2.1422	1.0867	2.6858	3.2890		1.7778	1.7778	2.3343	3.9920
H6	2.1277	1.0897	3.1851	2.6155	1.7778		1.7592	3.3332	3.4881
H7	2.1277	1.0897	3.1851	2.6155	1.7778	1.7592		3.3332	3.4881
H8	1.8793	2.5788	1.0128	3.1228	2.3343	3.3332	3.3332		3.2487
H9	1.8677	3.1744	2.2549	0.9633	3.9920	3.4881	3.4881	3.2487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.901	C1	C2	H6	109.565
C1	C2	H7	109.565	C1	N3	H8	110.698
C1	O4	H9	106.375	C2	C1	N3	129.183
C2	C1	O4	111.205	N3	C1	O4	119.612
H5	C2	H6	109.546	H5	C2	H7	109.546
H6	C2	H7	107.656

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

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