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	hartrees
Energy at 0K	-208.563677
Energy at 298.15K	-208.570060
HF Energy	-207.950430
Nuclear repulsion energy	121.368553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3691	3478	56.67
2	A'	3546	3341	2.56
3	A'	3230	3044	8.95
4	A'	3123	2943	3.71
5	A'	1775	1672	168.96
6	A'	1550	1460	22.85
7	A'	1494	1407	70.49
8	A'	1437	1354	4.44
9	A'	1290	1216	97.09
10	A'	1137	1071	179.17
11	A'	1049	988	40.32
12	A'	896	844	0.73
13	A'	555	523	42.57
14	A'	430	405	2.36
15	A"	3211	3025	3.78
16	A"	1535	1447	8.35
17	A"	1102	1038	8.34
18	A"	871	821	27.13
19	A"	645	608	163.31
20	A"	527	496	13.50
21	A"	129	122	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.963	-1.018	0.000
N3	0.218	1.390	0.000
O4	-1.284	-0.318	0.000
H5	1.994	-0.663	0.000
H6	0.794	-1.640	0.882
H7	0.794	-1.640	-0.882
H8	1.220	1.582	0.000
H9	-1.836	0.491	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4990	1.2777	1.3600	2.1464	2.1316	2.1316	1.8957	1.8709
C2	1.4990		2.5202	2.3537	1.0905	1.0925	1.0925	2.6119	3.1798
N3	1.2777	2.5202		2.2740	2.7144	3.2076	3.2076	1.0205	2.2419
O4	1.3600	2.3537	2.2740		3.2963	2.6159	2.6159	3.1430	0.9791
H5	2.1464	1.0905	2.7144	3.2963		1.7816	1.7816	2.3739	4.0002
H6	2.1316	1.0925	3.2076	2.6159	1.7816		1.7636	3.3671	3.4977
H7	2.1316	1.0925	3.2076	2.6159	1.7816	1.7636		3.3671	3.4977
H8	1.8957	2.6119	1.0205	3.1430	2.3739	3.3671	3.3671		3.2449
H9	1.8709	3.1798	2.2419	0.9791	4.0002	3.4977	3.4977	3.2449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.985	C1	C2	H6	109.679
C1	C2	H7	109.679	C1	N3	H8	110.650
C1	O4	H9	105.058	C2	C1	N3	130.191
C2	C1	O4	110.729	N3	C1	O4	119.080
H5	C2	H6	109.399	H5	C2	H7	109.399
H6	C2	H7	107.635

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

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

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