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/6-311+G(3df,2p)

States and conformations

Geometric Data calculated at CCSD(T)=FULL/6-311+G(3df,2p)

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.917	-1.055	0.000
N3	0.284	1.369	0.000
O4	-1.296	-0.253	0.000
H5	1.958	-0.742	0.000
H6	0.723	-1.669	0.880
H7	0.723	-1.669	-0.880
H8	1.290	1.507	0.000
H9	-1.815	0.561	0.000

Atom - Atom Distances (Å)

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4982	1.2708	1.3515	2.1434	2.1288	2.1288	1.8866	1.8658
C2	1.4982		2.5047	2.3539	1.0872	1.0903	1.0903	2.5886	3.1743
N3	1.2708	2.5047		2.2642	2.6937	3.1925	3.1925	1.0152	2.2495
O4	1.3515	2.3539	2.2642		3.2908	2.6180	2.6180	3.1279	0.9653
H5	2.1434	1.0872	2.6937	3.2908		1.7777	1.7777	2.3457	3.9920
H6	2.1288	1.0903	3.1925	2.6180	1.7777		1.7595	3.3436	3.4909
H7	2.1288	1.0903	3.1925	2.6180	1.7777	1.7595		3.3436	3.4909
H8	1.8866	2.5886	1.0152	3.1279	2.3457	3.3436	3.3436		3.2461
H9	1.8658	3.1743	2.2495	0.9653	3.9920	3.4909	3.4909	3.2461

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	111.003		C1	C2	H6	109.645
C1	C2	H7	109.645		C1	N3	H8	110.742
C1	O4	H9	106.079		C2	C1	N3	129.340
C2	C1	O4	111.284		N3	C1	O4	119.377
H5	C2	H6	109.446		H5	C2	H7	109.446
H6	C2	H7	107.587