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	hartrees
Energy at 0K	-208.698632
Energy at 298.15K	-208.704940
HF Energy	-208.031861
Nuclear repulsion energy	121.693450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3783	3586	57.84
2	A'	3568	3382	6.16
3	A'	3213	3045	9.54
4	A'	3104	2943	5.60
5	A'	1739	1648	182.82
6	A'	1512	1433	19.67
7	A'	1462	1385	59.33
8	A'	1408	1335	3.88
9	A'	1273	1206	88.10
10	A'	1117	1059	168.17
11	A'	1033	979	54.91
12	A'	883	837	1.14
13	A'	555	526	42.96
14	A'	430	407	2.12
15	A"	3191	3025	4.39
16	A"	1489	1411	8.83
17	A"	1078	1022	3.07
18	A"	846	802	27.73
19	A"	588	557	137.14
20	A"	499	473	18.63
21	A"	112	106	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.940	-1.035	0.000
N3	0.252	1.379	0.000
O4	-1.292	-0.286	0.000
H5	1.973	-0.696	0.000
H6	0.761	-1.650	0.881
H7	0.761	-1.650	-0.881
H8	1.257	1.526	0.000
H9	-1.824	0.525	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4979	1.2728	1.3577	2.1397	2.1280	2.1280	1.8776	1.8658
C2	1.4979		2.5097	2.3547	1.0870	1.0892	1.0892	2.5799	3.1739
N3	1.2728	2.5097		2.2706	2.6958	3.1952	3.1952	1.0158	2.2446
O4	1.3577	2.3547	2.2706		3.2910	2.6179	2.6179	3.1274	0.9697
H5	2.1397	1.0870	2.6958	3.2910		1.7762	1.7762	2.3342	3.9886
H6	2.1280	1.0892	3.1952	2.6179	1.7762		1.7615	3.3327	3.4914
H7	2.1280	1.0892	3.1952	2.6179	1.7762	1.7615		3.3327	3.4914
H8	1.8776	2.5799	1.0158	3.1274	2.3342	3.3327	3.3327		3.2395
H9	1.8658	3.1739	2.2446	0.9697	3.9886	3.4914	3.4914	3.2395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.732	C1	C2	H6	109.666
C1	C2	H7	109.666	C1	N3	H8	109.739
C1	O4	H9	105.364	C2	C1	N3	129.685
C2	C1	O4	111.001	N3	C1	O4	119.314
H5	C2	H6	109.405	H5	C2	H7	109.405
H6	C2	H7	107.915

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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