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	hartrees
Energy at 0K	-208.652373
Energy at 298.15K	-208.658720
HF Energy	-207.991521
Nuclear repulsion energy	120.769640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3585	60.31
2	A'	3532	3387	7.35
3	A'	3197	3066	8.43
4	A'	3081	2954	5.48
5	A'	1718	1648	190.61
6	A'	1475	1415	18.24
7	A'	1433	1374	66.28
8	A'	1370	1314	0.93
9	A'	1256	1204	84.93
10	A'	1105	1059	172.43
11	A'	1009	968	41.26
12	A'	877	841	1.65
13	A'	544	522	38.24
14	A'	420	403	2.11
15	A"	3170	3040	3.90
16	A"	1464	1404	8.11
17	A"	1054	1011	2.94
18	A"	842	807	26.12
19	A"	612	587	117.86
20	A"	525	504	14.93
21	A"	131	126	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.960	-1.029	0.000
N3	0.234	1.395	0.000
O4	-1.296	-0.306	0.000
H5	1.999	-0.675	0.000
H6	0.783	-1.654	0.889
H7	0.783	-1.654	-0.889
H8	1.244	1.562	0.000
H9	-1.843	0.500	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5053	1.2864	1.3671	2.1548	2.1416	2.1416	1.8969	1.8796
C2	1.5053		2.5307	2.3692	1.0975	1.1006	1.1006	2.6069	3.1930
N3	1.2864	2.5307		2.2875	2.7199	3.2230	3.2230	1.0235	2.2619
O4	1.3671	2.3692	2.2875		3.3152	2.6327	2.6327	3.1525	0.9735
H5	2.1548	1.0975	2.7199	3.3152		1.7961	1.7961	2.3609	4.0173
H6	2.1416	1.1006	3.2230	2.6327	1.7961		1.7776	3.3683	3.5108
H7	2.1416	1.1006	3.2230	2.6327	1.7961	1.7776		3.3683	3.5108
H8	1.8969	2.6069	1.0235	3.1525	2.3609	3.3683	3.3683		3.2646
H9	1.8796	3.1930	2.2619	0.9735	4.0173	3.5108	3.5108	3.2646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.785	C1	C2	H6	109.552
C1	C2	H7	109.552	C1	N3	H8	109.887
C1	O4	H9	105.614	C2	C1	N3	129.882
C2	C1	O4	111.048	N3	C1	O4	119.069
H5	C2	H6	109.590	H5	C2	H7	109.590
H6	C2	H7	107.715

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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