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	hartrees
Energy at 0K	-208.935604
Energy at 298.15K
HF Energy	-208.040095
Nuclear repulsion energy	122.046800

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.923	-1.045	0.000
N3	0.275	1.368	0.000
O4	-1.294	-0.263	0.000
H5	1.959	-0.725	0.000
H6	0.732	-1.658	0.878
H7	0.732	-1.658	-0.878
H8	1.280	1.503	0.000
H9	-1.808	0.555	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4942	1.2686	1.3529	2.1370	2.1222	2.1222	1.8767	1.8574
C2	1.4942		2.4990	2.3510	1.0846	1.0875	1.0875	2.5731	3.1650
N3	1.2686	2.4990		2.2640	2.6860	3.1842	3.1842	1.0133	2.2368
O4	1.3529	2.3510	2.2640		3.2857	2.6121	2.6121	3.1216	0.9657
H5	2.1370	1.0846	2.6860	3.2857		1.7740	1.7740	2.3287	3.9782
H6	2.1222	1.0875	3.1842	2.6121	1.7740		1.7559	3.3260	3.4812
H7	2.1222	1.0875	3.1842	2.6121	1.7740	1.7559		3.3260	3.4812
H8	1.8767	2.5731	1.0133	3.1216	2.3287	3.3260	3.3260		3.2301
H9	1.8574	3.1650	2.2368	0.9657	3.9782	3.4812	3.4812	3.2301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.931	C1	C2	H6	109.571
C1	C2	H7	109.571	C1	N3	H8	110.156
C1	O4	H9	105.249	C2	C1	N3	129.340
C2	C1	O4	111.237	N3	C1	O4	119.423
H5	C2	H6	109.515	H5	C2	H7	109.515
H6	C2	H7	107.674

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVTZ

States and conformations

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