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	hartrees
Energy at 0K	-207.976720
Energy at 298.15K	-207.983305
HF Energy	-207.976720
Nuclear repulsion energy	122.805031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4134	3738	102.20
2	A'	3808	3443	11.67
3	A'	3297	2981	19.34
4	A'	3205	2898	9.15
5	A'	1912	1728	371.67
6	A'	1606	1452	22.14
7	A'	1576	1425	85.53
8	A'	1511	1366	16.52
9	A'	1372	1241	97.49
10	A'	1206	1091	203.03
11	A'	1115	1008	44.54
12	A'	937	847	0.42
13	A'	597	540	46.60
14	A'	459	415	1.84
15	A"	3274	2960	10.13
16	A"	1596	1443	7.43
17	A"	1171	1058	9.01
18	A"	926	837	42.44
19	A"	666	602	135.16
20	A"	558	505	58.37
21	A"	152	137	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.879	-1.081	0.000
N3	0.330	1.344	0.000
O4	-1.293	-0.202	0.000
H5	1.925	-0.807	0.000
H6	0.663	-1.683	0.876
H7	0.663	-1.683	-0.876
H8	1.322	1.466	0.000
H9	-1.811	0.592	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5010	1.2525	1.3364	2.1434	2.1246	2.1246	1.8760	1.8673
C2	1.5010		2.4865	2.3434	1.0816	1.0841	1.0841	2.5858	3.1676
N3	1.2525	2.4865		2.2411	2.6779	3.1686	3.1686	1.0001	2.2685
O4	1.3364	2.3434	2.2411		3.2747	2.6057	2.6057	3.1021	0.9476
H5	2.1434	1.0816	2.6779	3.2747		1.7681	1.7681	2.3517	3.9891
H6	2.1246	1.0841	3.1686	2.6057	1.7681		1.7513	3.3345	3.4733
H7	2.1246	1.0841	3.1686	2.6057	1.7681	1.7513		3.3345	3.4733
H8	1.8760	2.5858	1.0001	3.1021	2.3517	3.3345	3.3345		3.2526
H9	1.8673	3.1676	2.2685	0.9476	3.9891	3.4733	3.4733	3.2526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.151	C1	C2	H6	109.487
C1	C2	H7	109.487	C1	N3	H8	112.291
C1	O4	H9	108.480	C2	C1	N3	128.893
C2	C1	O4	111.229	N3	C1	O4	119.878
H5	C2	H6	109.453	H5	C2	H7	109.453
H6	C2	H7	107.743

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

using model chemistry: HF/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	0.329
2	C	-0.326
3	N	-0.592
4	O	-0.529
5	H	0.138
6	H	0.168
7	H	0.168
8	H	0.258
9	H	0.387

	x	y	z	Total
	1.286	-1.352	0.000	1.865
CHELPG
AIM
ESP

<r²>	74.225
(<r²>)^1/2	8.615

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

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

States and conformations

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