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	hartrees
Energy at 0K	-39.168604
Energy at 298.15K	-39.175160
HF Energy	-39.168604
Nuclear repulsion energy	68.200415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4012	3661	65.28
2	A'	3734	3407	13.22
3	A'	3286	2998	26.68
4	A'	3179	2901	13.45
5	A'	1838	1678	286.02
6	A'	1622	1480	36.23
7	A'	1575	1437	47.29
8	A'	1514	1381	24.62
9	A'	1336	1219	107.38
10	A'	1171	1069	180.59
11	A'	1113	1016	129.11
12	A'	914	834	1.40
13	A'	563	513	54.20
14	A'	440	402	3.24
15	A"	3273	2987	17.38
16	A"	1612	1471	10.80
17	A"	1197	1092	13.04
18	A"	947	864	68.05
19	A"	657	600	201.99
20	A"	555	507	52.21
21	A"	147	135	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	1.014	-0.985	0.000
N3	0.174	1.394	0.000
O4	-1.283	-0.360	0.000
H5	2.023	-0.593	0.000
H6	0.869	-1.607	0.876
H7	0.869	-1.607	-0.876
H8	1.131	1.702	0.000
H9	-1.930	0.342	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5090	1.2734	1.3741	2.1487	2.1327	2.1327	1.9351	1.9418
C2	1.5090		2.5230	2.3804	1.0826	1.0839	1.0839	2.6902	3.2298
N3	1.2734	2.5230		2.2801	2.7135	3.2027	3.2027	1.0056	2.3527
O4	1.3741	2.3804	2.2801		3.3138	2.6368	2.6368	3.1751	0.9552
H5	2.1487	1.0826	2.7135	3.3138		1.7687	1.7687	2.4621	4.0623
H6	2.1327	1.0839	3.2027	2.6368	1.7687		1.7511	3.4338	3.5219
H7	2.1327	1.0839	3.2027	2.6368	1.7687	1.7511		3.4338	3.5219
H8	1.9351	2.6902	1.0056	3.1751	2.4621	3.4338	3.4338		3.3502
H9	1.9418	3.2298	2.3527	0.9552	4.0623	3.5219	3.5219	3.3502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.947	C1	C2	H6	109.587
C1	C2	H7	109.587	C1	N3	H8	115.731
C1	O4	H9	111.688	C2	C1	N3	129.927
C2	C1	O4	111.220	N3	C1	O4	118.854
H5	C2	H6	109.452	H5	C2	H7	109.452
H6	C2	H7	107.756

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

using model chemistry: HF/CEP-121G

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	0.199
2	C	-0.564
3	N	-0.310
4	O	-0.525
5	H	0.154
6	H	0.187
7	H	0.187
8	H	0.256
9	H	0.415

	x	y	z	Total
	1.898	-0.903	0.000	2.101
CHELPG
AIM
ESP

	x	y	z
x	4.677	0.304	0.000
y	0.304	5.822	0.000
z	0.000	0.000	3.184

<r²>	64.683
(<r²>)^1/2	8.043

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

using model chemistry: HF/CEP-121G

States and conformations

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