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/daug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(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	0.926	-1.044	0.000
N3	0.270	1.370	0.000
O4	-1.292	-0.268	0.000
H5	1.963	-0.717	0.000
H6	0.737	-1.657	0.880
H7	0.737	-1.657	-0.880
H8	1.273	1.516	0.000
H9	-1.818	0.543	0.000

Atom - Atom Distances (Å)

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4955	1.2685	1.3524	2.1376	2.1246	2.1246	1.8817	1.8639
C2	1.4955		2.5013	2.3505	1.0865	1.0894	1.0894	2.5833	3.1697
N3	1.2685	2.5013		2.2634	2.6870	3.1869	3.1869	1.0136	2.2455
O4	1.3524	2.3505	2.2634		3.2858	2.6125	2.6125	3.1247	0.9660
H5	2.1376	1.0865	2.6870	3.2858		1.7776	1.7776	2.3372	3.9846
H6	2.1246	1.0894	3.1869	2.6125	1.7776		1.7603	3.3365	3.4847
H7	2.1246	1.0894	3.1869	2.6125	1.7776	1.7603		3.3365	3.4847
H8	1.8817	2.5833	1.0136	3.1247	2.3372	3.3365	3.3365		3.2403
H9	1.8639	3.1697	2.2455	0.9660	3.9846	3.4847	3.4847	3.2403

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	110.766		C1	C2	H6	109.554
C1	C2	H7	109.554		C1	N3	H8	110.587
C1	O4	H9	105.818		C2	C1	N3	129.445
C2	C1	O4	111.145		N3	C1	O4	119.410
H5	C2	H6	109.562		H5	C2	H7	109.562
H6	C2	H7	107.788