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	hartrees
Energy at 0K	-207.201497
Energy at 298.15K	-207.207805
HF Energy	-206.782587
Nuclear repulsion energy	119.703108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3339	15.57
2	A'	3397	3244	1.80
3	A'	3190	3046	11.02
4	A'	3104	2964	4.18
5	A'	1702	1625	86.39
6	A'	1581	1510	38.19
7	A'	1485	1418	27.16
8	A'	1452	1386	30.03
9	A'	1248	1192	91.13
10	A'	1106	1056	108.04
11	A'	1014	968	147.39
12	A'	835	797	0.73
13	A'	541	517	41.17
14	A'	408	390	3.57
15	A"	3178	3035	5.40
16	A"	1578	1507	7.02
17	A"	1134	1083	9.59
18	A"	876	837	37.42
19	A"	644	615	169.00
20	A"	521	498	18.58
21	A"	106	101	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.139	0.000
C2	1.068	-0.938	0.000
N3	0.091	1.420	0.000
O4	-1.268	-0.450	0.000
H5	2.063	-0.487	0.000
H6	0.949	-1.568	0.886
H7	0.949	-1.568	-0.886
H8	1.059	1.771	0.000
H9	-1.919	0.305	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5165	1.2836	1.3981	2.1560	2.1444	2.1444	1.9452	1.9259
C2	1.5165		2.5517	2.3860	1.0925	1.0936	1.0936	2.7088	3.2346
N3	1.2836	2.5517		2.3111	2.7432	3.2319	3.2319	1.0298	2.2981
O4	1.3981	2.3860	2.3111		3.3311	2.6358	2.6358	3.2165	0.9966
H5	2.1560	1.0925	2.7432	3.3311		1.7873	1.7873	2.4714	4.0597
H6	2.1444	1.0936	3.2319	2.6358	1.7873		1.7721	3.4560	3.5373
H7	2.1444	1.0936	3.2319	2.6358	1.7873	1.7721		3.4560	3.5373
H8	1.9452	2.7088	1.0298	3.2165	2.4714	3.4560	3.4560		3.3190
H9	1.9259	3.2346	2.2981	0.9966	4.0597	3.5373	3.5373	3.3190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.398	C1	C2	H6	109.415
C1	C2	H7	109.415	C1	N3	H8	114.010
C1	O4	H9	105.854	C2	C1	N3	131.189
C2	C1	O4	109.830	N3	C1	O4	118.981
H5	C2	H6	109.677	H5	C2	H7	109.677
H6	C2	H7	108.224

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

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

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