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	hartrees
Energy at 0K	-207.215616
Energy at 298.15K	-207.221912
HF Energy	-206.783336
Nuclear repulsion energy	119.784053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3536	3382	8.67
2	A'	3375	3228	1.97
3	A'	3138	3001	13.01
4	A'	3059	2926	5.16
5	A'	1756	1679	98.44
6	A'	1567	1499	26.98
7	A'	1478	1414	42.02
8	A'	1460	1396	13.66
9	A'	1275	1219	95.03
10	A'	1107	1059	125.37
11	A'	1018	974	122.52
12	A'	834	798	0.97
13	A'	543	520	41.23
14	A'	406	388	3.51
15	A"	3124	2988	7.40
16	A"	1558	1490	6.52
17	A"	1128	1079	11.03
18	A"	896	857	39.68
19	A"	615	588	156.55
20	A"	511	489	28.82
21	A"	114	109	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.142	0.000
C2	1.051	-0.956	0.000
N3	0.122	1.411	0.000
O4	-1.279	-0.422	0.000
H5	2.059	-0.525	0.000
H6	0.918	-1.586	0.889
H7	0.918	-1.586	-0.889
H8	1.097	1.745	0.000
H9	-1.922	0.334	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5198	1.2752	1.3978	2.1638	2.1490	2.1490	1.9422	1.9313
C2	1.5198		2.5430	2.3899	1.0961	1.0974	1.0974	2.7010	3.2406
N3	1.2752	2.5430		2.3076	2.7383	3.2259	3.2259	1.0305	2.3101
O4	1.3978	2.3899	2.3076		3.3388	2.6401	2.6401	3.2157	0.9931
H5	2.1638	1.0961	2.7383	3.3388		1.7934	1.7934	2.4645	4.0719
H6	2.1490	1.0974	3.2259	2.6401	1.7934		1.7777	3.4516	3.5415
H7	2.1490	1.0974	3.2259	2.6401	1.7934	1.7777		3.4516	3.5415
H8	1.9422	2.7010	1.0305	3.2157	2.4645	3.4516	3.4516		3.3320
H9	1.9313	3.2406	2.3101	0.9931	4.0719	3.5415	3.5415	3.3320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.570	C1	C2	H6	109.332
C1	C2	H7	109.332	C1	N3	H8	114.358
C1	O4	H9	106.535	C2	C1	N3	130.767
C2	C1	O4	109.926	N3	C1	O4	119.308
H5	C2	H6	109.689	H5	C2	H7	109.689
H6	C2	H7	108.186

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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