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	hartrees
Energy at 0K	-208.656084
Energy at 298.15K	-208.662401
HF Energy	-207.973483
Nuclear repulsion energy	120.734458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3757	3581
2	A'	3493	3330
3	A'	3168	3020
4	A'	3060	2917
5	A'	1753	1671
6	A'	1482	1413
7	A'	1458	1389
8	A'	1380	1315
9	A'	1284	1223
10	A'	1126	1073
11	A'	1008	960
12	A'	876	835
13	A'	541	516
14	A'	413	394
15	A"	3144	2996
16	A"	1463	1395
17	A"	1057	1008
18	A"	852	812
19	A"	620	591
20	A"	509	485
21	A"	122	117

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.918	-1.069	0.000
N3	0.291	1.384	0.000
O4	-1.308	-0.251	0.000
H5	1.977	-0.760	0.000
H6	0.716	-1.691	0.892
H7	0.716	-1.691	-0.892
H8	1.313	1.490	0.000
H9	-1.803	0.588	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5127	1.2845	1.3630	2.1689	2.1524	2.1524	1.8884	1.8596
C2	1.5127		2.5322	2.3722	1.1026	1.1053	1.1053	2.5893	3.1863
N3	1.2845	2.5322		2.2862	2.7275	3.2294	3.2294	1.0282	2.2397
O4	1.3630	2.3722	2.2862		3.3240	2.6395	2.6395	3.1463	0.9738
H5	2.1689	1.1026	2.7275	3.3240		1.8026	1.8026	2.3454	4.0129
H6	2.1524	1.1053	3.2294	2.6395	1.8026		1.7832	3.3564	3.5121
H7	2.1524	1.1053	3.2294	2.6395	1.8026	1.7832		3.3564	3.5121
H8	1.8884	2.5893	1.0282	3.1463	2.3454	3.3564	3.3564		3.2441
H9	1.8596	3.1863	2.2397	0.9738	4.0129	3.5121	3.5121	3.2441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.089	C1	C2	H6	109.618
C1	C2	H7	109.618	C1	N3	H8	108.983
C1	O4	H9	104.222	C2	C1	N3	129.544
C2	C1	O4	111.054	N3	C1	O4	119.402
H5	C2	H6	109.455	H5	C2	H7	109.455
H6	C2	H7	107.534

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

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

States and conformations

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