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	hartrees
Energy at 0K	-207.983647
Energy at 298.15K	-207.990230
HF Energy	-207.983647
Nuclear repulsion energy	122.995518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4129	3739	90.63
2	A'	3785	3427	6.05
3	A'	3283	2973	19.63
4	A'	3189	2888	7.95
5	A'	1918	1737	315.11
6	A'	1603	1452	31.11
7	A'	1574	1426	74.34
8	A'	1510	1367	8.41
9	A'	1381	1251	102.21
10	A'	1209	1095	195.85
11	A'	1108	1004	39.49
12	A'	931	843	0.68
13	A'	599	542	42.40
14	A'	455	412	1.58
15	A"	3256	2949	11.75
16	A"	1591	1441	5.57
17	A"	1171	1061	12.06
18	A"	935	847	32.05
19	A"	671	608	116.26
20	A"	557	504	48.42
21	A"	148	134	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.138	0.000
C2	0.862	-1.092	0.000
N3	0.351	1.336	0.000
O4	-1.295	-0.182	0.000
H5	1.912	-0.835	0.000
H6	0.637	-1.692	0.875
H7	0.637	-1.692	-0.875
H8	1.346	1.431	0.000
H9	-1.791	0.623	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5016	1.2483	1.3342	2.1452	2.1259	2.1259	1.8668	1.8556
C2	1.5016		2.4811	2.3414	1.0817	1.0847	1.0847	2.5696	3.1588
N3	1.2483	2.4811		2.2387	2.6737	3.1648	3.1648	0.9998	2.2572
O4	1.3342	2.3414	2.2387		3.2735	2.6039	2.6039	3.0948	0.9448
H5	2.1452	1.0817	2.6737	3.2735		1.7688	1.7688	2.3357	3.9797
H6	2.1259	1.0847	3.1648	2.6039	1.7688		1.7502	3.3205	3.4667
H7	2.1259	1.0847	3.1648	2.6039	1.7688	1.7502		3.3205	3.4667
H8	1.8668	2.5696	0.9998	3.0948	2.3357	3.3205	3.3205		3.2394
H9	1.8556	3.1588	2.2572	0.9448	3.9797	3.4667	3.4667	3.2394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.238	C1	C2	H6	109.512
C1	C2	H7	109.512	C1	N3	H8	111.803
C1	O4	H9	107.792	C2	C1	N3	128.675
C2	C1	O4	111.167	N3	C1	O4	120.158
H5	C2	H6	109.466	H5	C2	H7	109.466
H6	C2	H7	107.571

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

using model chemistry: HF/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	0.475
2	C	-0.476
3	N	-0.575
4	O	-0.524
5	H	0.152
6	H	0.170
7	H	0.170
8	H	0.261
9	H	0.348

	x	y	z	Total
	0.988	-1.234	0.000	1.580
CHELPG
AIM
ESP

	x	y	z
x	4.805	0.287	0.000
y	0.287	5.406	0.000
z	0.000	0.000	3.226

<r²>	73.564
(<r²>)^1/2	8.577

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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