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	hartrees
Energy at 0K	-208.617939
Energy at 298.15K	-208.624346
HF Energy	-207.966970
Nuclear repulsion energy	121.591048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3881	3639	47.56
2	A'	3610	3385	1.19
3	A'	3238	3036	13.69
4	A'	3134	2939	6.07
5	A'	1827	1713	188.16
6	A'	1551	1454	17.32
7	A'	1506	1412	65.12
8	A'	1444	1354	4.87
9	A'	1309	1228	94.59
10	A'	1152	1080	181.65
11	A'	1054	988	37.68
12	A'	899	843	0.80
13	A'	560	525	41.81
14	A'	431	404	2.10
15	A"	3218	3017	7.97
16	A"	1535	1439	5.68
17	A"	1106	1037	7.05
18	A"	890	835	28.69
19	A"	625	586	144.86
20	A"	521	489	22.05
21	A"	135	126	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.938	-1.041	0.000
N3	0.259	1.379	0.000
O4	-1.294	-0.281	0.000
H5	1.974	-0.711	0.000
H6	0.753	-1.655	0.880
H7	0.753	-1.655	-0.880
H8	1.263	1.532	0.000
H9	-1.829	0.524	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5034	1.2709	1.3589	2.1472	2.1314	2.1314	1.8833	1.8700
C2	1.5034		2.5128	2.3577	1.0871	1.0891	1.0891	2.5927	3.1786
N3	1.2709	2.5128		2.2725	2.7033	3.1971	3.1971	1.0156	2.2559
O4	1.3589	2.3577	2.2725		3.2960	2.6177	2.6177	3.1338	0.9662
H5	2.1472	1.0871	2.7033	3.2960		1.7767	1.7767	2.3526	3.9982
H6	2.1314	1.0891	3.1971	2.6177	1.7767		1.7600	3.3451	3.4910
H7	2.1314	1.0891	3.1971	2.6177	1.7767	1.7600		3.3451	3.4910
H8	1.8833	2.5927	1.0156	3.1338	2.3526	3.3451	3.3451		3.2517
H9	1.8700	3.1786	2.2559	0.9662	3.9982	3.4910	3.4910	3.2517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.947	C1	C2	H6	109.560
C1	C2	H7	109.560	C1	N3	H8	110.409
C1	O4	H9	105.841	C2	C1	N3	129.656
C2	C1	O4	110.818	N3	C1	O4	119.526
H5	C2	H6	109.458	H5	C2	H7	109.458
H6	C2	H7	107.798

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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