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	hartrees
Energy at 0K	-208.732489
Energy at 298.15K	-208.738982
HF Energy	-208.050710
Nuclear repulsion energy	122.890514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3983	3983	80.68
2	A'	3705	3705	10.02
3	A'	3266	3266	10.94
4	A'	3167	3167	4.78
5	A'	1849	1849	271.34
6	A'	1554	1554	24.47
7	A'	1523	1523	76.44
8	A'	1457	1457	3.48
9	A'	1325	1325	94.07
10	A'	1167	1167	191.14
11	A'	1070	1070	36.01
12	A'	918	918	0.68
13	A'	577	577	42.94
14	A'	441	441	1.61
15	A"	3239	3239	5.35
16	A"	1542	1542	7.87
17	A"	1126	1126	7.43
18	A"	899	899	30.31
19	A"	647	647	110.11
20	A"	545	545	39.87
21	A"	141	141	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.887	-1.068	0.000
N3	0.318	1.346	0.000
O4	-1.294	-0.217	0.000
H5	1.927	-0.780	0.000
H6	0.679	-1.671	0.873
H7	0.679	-1.671	-0.873
H8	1.314	1.459	0.000
H9	-1.799	0.591	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4926	1.2544	1.3400	2.1320	2.1161	2.1161	1.8675	1.8562
C2	1.4926		2.4801	2.3406	1.0790	1.0819	1.0819	2.5628	3.1567
N3	1.2544	2.4801		2.2451	2.6661	3.1620	3.1620	1.0029	2.2473
O4	1.3400	2.3406	2.2451		3.2692	2.6014	2.6014	3.1003	0.9530
H5	2.1320	1.0790	2.6661	3.2692		1.7652	1.7652	2.3212	3.9698
H6	2.1161	1.0819	3.1620	2.6014	1.7652		1.7466	3.3117	3.4668
H7	2.1161	1.0819	3.1620	2.6014	1.7652	1.7466		3.3117	3.4668
H8	1.8675	2.5628	1.0029	3.1003	2.3212	3.3117	3.3117		3.2320
H9	1.8562	3.1567	2.2473	0.9530	3.9698	3.4668	3.4668	3.2320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.983	C1	C2	H6	109.529
C1	C2	H7	109.529	C1	N3	H8	111.152
C1	O4	H9	106.879	C2	C1	N3	128.855
C2	C1	O4	111.331	N3	C1	O4	119.814
H5	C2	H6	109.545	H5	C2	H7	109.545
H6	C2	H7	107.645

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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