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: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(T)=FULL/daug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.928	-1.042	0.000
N3	0.268	1.371	0.000
O4	-1.292	-0.270	0.000
H5	1.964	-0.714	0.000
H6	0.740	-1.656	0.880
H7	0.740	-1.656	-0.880
H8	1.271	1.519	0.000
H9	-1.818	0.541	0.000

Atom - Atom Distances (Å)

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4957	1.2689	1.3530	2.1378	2.1249	2.1249	1.8821	1.8640
C2	1.4957		2.5021	2.3510	1.0866	1.0894	1.0894	2.5844	3.1700
N3	1.2689	2.5021		2.2641	2.6877	3.1877	3.1877	1.0137	2.2452
O4	1.3530	2.3510	2.2641		3.2864	2.6129	2.6129	3.1255	0.9662
H5	2.1378	1.0866	2.6877	3.2864		1.7778	1.7778	2.3383	3.9848
H6	2.1249	1.0894	3.1877	2.6129	1.7778		1.7604	3.3376	3.4851
H7	2.1249	1.0894	3.1877	2.6129	1.7778	1.7604		3.3376	3.4851
H8	1.8821	2.5844	1.0137	3.1255	2.3383	3.3376	3.3376		3.2401
H9	1.8640	3.1700	2.2452	0.9662	3.9848	3.4851	3.4851	3.2401

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	110.760		C1	C2	H6	109.556
C1	C2	H7	109.556		C1	N3	H8	110.591
C1	O4	H9	105.765		C2	C1	N3	129.467
C2	C1	O4	111.137		N3	C1	O4	119.396
H5	C2	H6	109.564		H5	C2	H7	109.564
H6	C2	H7	107.787