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(T)=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.923	-1.045	0.000
N3	0.274	1.369	0.000
O4	-1.293	-0.264	0.000
H5	1.960	-0.721	0.000
H6	0.734	-1.658	0.880
H7	0.734	-1.658	-0.880
H8	1.278	1.511	0.000
H9	-1.819	0.546	0.000

Atom - Atom Distances (Å)

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4943	1.2692	1.3520	2.1372	2.1242	2.1242	1.8815	1.8657
C2	1.4943		2.4999	2.3499	1.0868	1.0894	1.0894	2.5806	3.1701
N3	1.2692	2.4999		2.2640	2.6855	3.1863	3.1863	1.0135	2.2492
O4	1.3520	2.3499	2.2640		3.2856	2.6131	2.6131	3.1244	0.9657
H5	2.1372	1.0868	2.6855	3.2856		1.7770	1.7770	2.3341	3.9859
H6	2.1242	1.0894	3.1863	2.6131	1.7770		1.7606	3.3340	3.4858
H7	2.1242	1.0894	3.1863	2.6131	1.7770	1.7606		3.3340	3.4858
H8	1.8815	2.5806	1.0135	3.1244	2.3341	3.3340	3.3340		3.2435
H9	1.8657	3.1701	2.2492	0.9657	3.9859	3.4858	3.4858	3.2435

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	110.802		C1	C2	H6	109.604
C1	C2	H7	109.604		C1	N3	H8	110.524
C1	O4	H9	106.016		C2	C1	N3	129.367
C2	C1	O4	111.198		N3	C1	O4	119.436
H5	C2	H6	109.484		H5	C2	H7	109.484
H6	C2	H7	107.809