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	hartrees
Energy at 0K	-209.078360
Energy at 298.15K	-209.084713
HF Energy	-208.836827
Nuclear repulsion energy	121.702917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3791	49.55
2	A'	3550	3550	2.70
3	A'	3169	3169	13.47
4	A'	3072	3072	6.55
5	A'	1746	1746	208.38
6	A'	1501	1501	22.73
7	A'	1457	1457	62.28
8	A'	1399	1399	0.57
9	A'	1279	1279	99.23
10	A'	1114	1114	177.37
11	A'	1023	1023	45.09
12	A'	878	878	1.42
13	A'	553	553	42.22
14	A'	424	424	1.75
15	A"	3141	3141	7.82
16	A"	1488	1488	9.36
17	A"	1078	1078	6.58
18	A"	848	848	22.84
19	A"	630	630	132.99
20	A"	518	518	19.00
21	A"	122	122	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.931	-1.046	0.000
N3	0.265	1.375	0.000
O4	-1.293	-0.271	0.000
H5	1.971	-0.724	0.000
H6	0.742	-1.663	0.880
H7	0.742	-1.663	-0.880
H8	1.268	1.529	0.000
H9	-1.816	0.542	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5023	1.2701	1.3551	2.1496	2.1330	2.1330	1.8864	1.8615
C2	1.5023		2.5112	2.3559	1.0886	1.0914	1.0914	2.5973	3.1733
N3	1.2701	2.5112		2.2665	2.7056	3.1986	3.1986	1.0154	2.2411
O4	1.3551	2.3559	2.2665		3.2961	2.6182	2.6182	3.1311	0.9665
H5	2.1496	1.0886	2.7056	3.2961		1.7796	1.7796	2.3608	3.9934
H6	2.1330	1.0914	3.1986	2.6182	1.7796		1.7606	3.3529	3.4899
H7	2.1330	1.0914	3.1986	2.6182	1.7796	1.7606		3.3529	3.4899
H8	1.8864	2.5973	1.0154	3.1311	2.3608	3.3529	3.3529		3.2383
H9	1.8615	3.1733	2.2411	0.9665	3.9934	3.4899	3.4899	3.2383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.126	C1	C2	H6	109.627
C1	C2	H7	109.627	C1	N3	H8	110.765
C1	O4	H9	105.385	C2	C1	N3	129.665
C2	C1	O4	110.970	N3	C1	O4	119.364
H5	C2	H6	109.433	H5	C2	H7	109.433
H6	C2	H7	107.521

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

using model chemistry: B2PLYP=FULL/6-311G**

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: B2PLYP=FULL/6-311G**

States and conformations

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