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	hartrees
Energy at 0K	-208.712351
Energy at 298.15K	-208.718655
HF Energy	-207.991772
Nuclear repulsion energy	120.404984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3730	3730
2	A'	3486	3486
3	A'	3138	3138
4	A'	3032	3032
5	A'	1712	1712
6	A'	1469	1469
7	A'	1429	1429
8	A'	1369	1369
9	A'	1265	1265
10	A'	1108	1108
11	A'	1003	1003
12	A'	862	862
13	A'	539	539
14	A'	413	413
15	A"	3111	3111
16	A"	1454	1454
17	A"	1046	1046
18	A"	839	839
19	A"	597	597
20	A"	507	507
21	A"	126	126

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.949	-1.047	0.000
N3	0.257	1.393	0.000
O4	-1.307	-0.285	0.000
H5	1.995	-0.704	0.000
H6	0.766	-1.671	0.892
H7	0.766	-1.671	-0.892
H8	1.272	1.542	0.000
H9	-1.841	0.528	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5135	1.2879	1.3713	2.1631	2.1518	2.1518	1.8993	1.8837
C2	1.5135		2.5369	2.3817	1.1010	1.1041	1.1041	2.6092	3.2049
N3	1.2879	2.5369		2.2935	2.7238	3.2317	3.2317	1.0256	2.2697
O4	1.3713	2.3817	2.2935		3.3287	2.6482	2.6482	3.1599	0.9728
H5	2.1631	1.1010	2.7238	3.3287		1.8012	1.8012	2.3593	4.0298
H6	2.1518	1.1041	3.2317	2.6482	1.8012		1.7847	3.3726	3.5255
H7	2.1518	1.1041	3.2317	2.6482	1.8012	1.7847		3.3726	3.5255
H8	1.8993	2.6092	1.0256	3.1599	2.3593	3.3726	3.3726		3.2741
H9	1.8837	3.2049	2.2697	0.9728	4.0298	3.5255	3.5255	3.2741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.671	C1	C2	H6	109.593
C1	C2	H7	109.593	C1	N3	H8	109.848
C1	O4	H9	105.686	C2	C1	N3	129.629
C2	C1	O4	111.206	N3	C1	O4	119.165
H5	C2	H6	109.544	H5	C2	H7	109.544
H6	C2	H7	107.845

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

using model chemistry: QCISD(T)/daug-cc-pVDZ

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)/daug-cc-pVDZ

States and conformations

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