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	hartrees
Energy at 0K	-208.836745
Energy at 298.15K	-208.843152
HF Energy	-208.039070
Nuclear repulsion energy	121.987279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3628	60.64
2	A'	3579	3376	6.75
3	A'	3173	2992	10.32
4	A'	3074	2899	5.39
5	A'	1774	1674	233.50
6	A'	1511	1425	18.90
7	A'	1472	1388	66.67
8	A'	1412	1332	2.82
9	A'	1286	1213	87.88
10	A'	1131	1066	178.23
11	A'	1036	977	38.05
12	A'	888	838	0.83
13	A'	559	527	40.13
14	A'	427	403	1.85
15	A"	3146	2967	5.47
16	A"	1499	1414	7.72
17	A"	1084	1022	4.74
18	A"	868	819	27.01
19	A"	620	585	109.78
20	A"	525	495	30.26
21	A"	140	132	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.906	-1.064	0.000
N3	0.300	1.363	0.000
O4	-1.298	-0.237	0.000
H5	1.950	-0.762	0.000
H6	0.704	-1.675	0.880
H7	0.704	-1.675	-0.880
H8	1.306	1.488	0.000
H9	-1.813	0.577	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5002	1.2667	1.3495	2.1448	2.1297	2.1297	1.8825	1.8664
C2	1.5002		2.5011	2.3537	1.0871	1.0901	1.0901	2.5833	3.1750
N3	1.2667	2.5011		2.2612	2.6896	3.1884	3.1884	1.0135	2.2542
O4	1.3495	2.3537	2.2612		3.2899	2.6174	2.6174	3.1234	0.9627
H5	2.1448	1.0871	2.6896	3.2899		1.7778	1.7778	2.3400	3.9933
H6	2.1297	1.0901	3.1884	2.6174	1.7778		1.7597	3.3380	3.4898
H7	2.1297	1.0901	3.1884	2.6174	1.7778	1.7597		3.3380	3.4898
H8	1.8825	2.5833	1.0135	3.1234	2.3400	3.3380	3.3380		3.2489
H9	1.8664	3.1750	2.2542	0.9627	3.9933	3.4898	3.4898	3.2489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.976	C1	C2	H6	109.595
C1	C2	H7	109.595	C1	N3	H8	110.813
C1	O4	H9	106.443	C2	C1	N3	129.167
C2	C1	O4	111.258	N3	C1	O4	119.575
H5	C2	H6	109.486	H5	C2	H7	109.486
H6	C2	H7	107.638

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

using model chemistry: CCSD/6-311+G(3df,2p)

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

States and conformations

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