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	hartrees
Energy at 0K	-209.136055
Energy at 298.15K	-209.142401
HF Energy	-209.136055
Nuclear repulsion energy	121.623570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3633	52.79
2	A'	3566	3424	5.69
3	A'	3174	3047	10.10
4	A'	3068	2946	5.94
5	A'	1757	1687	268.02
6	A'	1484	1425	23.06
7	A'	1445	1388	80.86
8	A'	1385	1330	3.10
9	A'	1257	1207	91.55
10	A'	1104	1060	179.63
11	A'	1016	975	34.35
12	A'	882	847	1.81
13	A'	550	528	43.81
14	A'	425	408	2.02
15	A"	3144	3019	4.05
16	A"	1473	1414	10.85
17	A"	1063	1021	6.89
18	A"	838	804	27.80
19	A"	632	607	141.98
20	A"	528	507	23.48
21	A"	127	122	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.925	-1.051	0.000
N3	0.273	1.373	0.000
O4	-1.295	-0.262	0.000
H5	1.969	-0.734	0.000
H6	0.736	-1.671	0.882
H7	0.736	-1.671	-0.882
H8	1.278	1.532	0.000
H9	-1.825	0.551	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5008	1.2723	1.3527	2.1507	2.1366	2.1366	1.8961	1.8729
C2	1.5008		2.5105	2.3562	1.0911	1.0943	1.0943	2.6067	3.1829
N3	1.2723	2.5105		2.2649	2.7051	3.2030	3.2030	1.0169	2.2535
O4	1.3527	2.3562	2.2649		3.2979	2.6247	2.6247	3.1355	0.9702
H5	2.1507	1.0911	2.7051	3.2979		1.7820	1.7820	2.3689	4.0060
H6	2.1366	1.0943	3.2030	2.6247	1.7820		1.7636	3.3657	3.5036
H7	2.1366	1.0943	3.2030	2.6247	1.7820	1.7636		3.3657	3.5036
H8	1.8961	2.6067	1.0169	3.1355	2.3689	3.3657	3.3657		3.2539
H9	1.8729	3.1829	2.2535	0.9702	4.0060	3.5036	3.5036	3.2539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.167	C1	C2	H6	109.851
C1	C2	H7	109.851	C1	N3	H8	111.358
C1	O4	H9	106.295	C2	C1	N3	129.545
C2	C1	O4	111.217	N3	C1	O4	119.238
H5	C2	H6	109.258	H5	C2	H7	109.258
H6	C2	H7	107.373

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

using model chemistry: B3PW91/6-31+G**

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	0.195
2	C	-0.454
3	N	-0.513
4	O	-0.413
5	H	0.165
6	H	0.198
7	H	0.198
8	H	0.257
9	H	0.366

	x	y	z	Total
	1.275	-1.174	0.000	1.733
CHELPG
AIM
ESP

	x	y	z
x	5.619	0.219	0.000
y	0.219	6.589	0.000
z	0.000	0.000	3.931

<r²>	75.080
(<r²>)^1/2	8.665

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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