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	hartrees
Energy at 0K	-208.490161
Energy at 298.15K	-208.496636
HF Energy	-207.952568
Nuclear repulsion energy	122.117948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3871	3576	67.38
2	A'	3654	3376	2.37
3	A'	3273	3023	12.33
4	A'	3174	2932	4.57
5	A'	1876	1733	243.74
6	A'	1579	1458	23.75
7	A'	1543	1425	79.39
8	A'	1478	1365	3.66
9	A'	1346	1243	104.78
10	A'	1180	1090	193.63
11	A'	1080	998	33.82
12	A'	922	852	0.53
13	A'	576	532	44.25
14	A'	442	408	2.18
15	A"	3251	3003	6.01
16	A"	1562	1443	7.64
17	A"	1135	1048	11.58
18	A"	907	837	32.62
19	A"	653	603	157.08
20	A"	542	500	28.48
21	A"	138	128	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.924	-1.046	0.000
N3	0.271	1.367	0.000
O4	-1.289	-0.265	0.000
H5	1.963	-0.729	0.000
H6	0.733	-1.659	0.879
H7	0.733	-1.659	-0.879
H8	1.270	1.524	0.000
H9	-1.823	0.542	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4986	1.2626	1.3496	2.1445	2.1271	2.1271	1.8832	1.8680
C2	1.4986		2.5000	2.3476	1.0864	1.0886	1.0886	2.5931	3.1728
N3	1.2626	2.5000		2.2574	2.6941	3.1852	3.1852	1.0121	2.2503
O4	1.3496	2.3476	2.2574		3.2858	2.6091	2.6091	3.1228	0.9666
H5	2.1445	1.0864	2.6941	3.2858		1.7755	1.7755	2.3569	3.9937
H6	2.1271	1.0886	3.1852	2.6091	1.7755		1.7575	3.3459	3.4854
H7	2.1271	1.0886	3.1852	2.6091	1.7755	1.7575		3.3459	3.4854
H8	1.8832	2.5931	1.0121	3.1228	2.3569	3.3459	3.3459		3.2456
H9	1.8680	3.1728	2.2503	0.9666	3.9937	3.4854	3.4854	3.2456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.104	C1	C2	H6	109.580
C1	C2	H7	109.580	C1	N3	H8	111.290
C1	O4	H9	106.326	C2	C1	N3	129.551
C2	C1	O4	110.909	N3	C1	O4	119.540
H5	C2	H6	109.433	H5	C2	H7	109.433
H6	C2	H7	107.642

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

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

States and conformations

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