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	hartrees
Energy at 0K	-208.701719
Energy at 298.15K	-208.708093
HF Energy	-208.014880
Nuclear repulsion energy	121.708931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3712	51.37
2	A'	3580	3419	2.86
3	A'	3179	3037	13.65
4	A'	3080	2942	6.72
5	A'	1810	1728	197.97
6	A'	1516	1448	19.15
7	A'	1487	1421	59.71
8	A'	1417	1353	0.25
9	A'	1314	1255	99.18
10	A'	1146	1094	184.67
11	A'	1037	991	33.08
12	A'	892	852	1.15
13	A'	561	536	43.15
14	A'	428	409	1.68
15	A"	3157	3015	8.25
16	A"	1498	1431	7.65
17	A"	1088	1039	5.57
18	A"	877	838	25.71
19	A"	606	579	117.36
20	A"	510	487	32.60
21	A"	125	120	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.907	-1.069	0.000
N3	0.300	1.367	0.000
O4	-1.301	-0.238	0.000
H5	1.956	-0.767	0.000
H6	0.701	-1.679	0.884
H7	0.701	-1.679	-0.884
H8	1.311	1.475	0.000
H9	-1.802	0.583	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5069	1.2681	1.3537	2.1544	2.1367	2.1367	1.8741	1.8570
C2	1.5069		2.5099	2.3592	1.0920	1.0943	1.0943	2.5751	3.1728
N3	1.2681	2.5099		2.2674	2.7012	3.1973	3.1973	1.0160	2.2438
O4	1.3537	2.3592	2.2674		3.3004	2.6209	2.6209	3.1233	0.9619
H5	2.1544	1.0920	2.7012	3.3004		1.7861	1.7861	2.3329	3.9938
H6	2.1367	1.0943	3.1973	2.6209	1.7861		1.7688	3.3318	3.4882
H7	2.1367	1.0943	3.1973	2.6209	1.7861	1.7688		3.3318	3.4882
H8	1.8741	2.5751	1.0160	3.1233	2.3329	3.3318	3.3318		3.2379
H9	1.8570	3.1728	2.2438	0.9619	3.9938	3.4882	3.4882	3.2379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.971	C1	C2	H6	109.429
C1	C2	H7	109.429	C1	N3	H8	109.787
C1	O4	H9	105.388	C2	C1	N3	129.302
C2	C1	O4	111.004	N3	C1	O4	119.694
H5	C2	H6	109.557	H5	C2	H7	109.557
H6	C2	H7	107.840

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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