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	hartrees
Energy at 0K	-208.593117
Energy at 298.15K	-208.599505
HF Energy	-207.950801
Nuclear repulsion energy	121.361741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3717	3530	46.02
2	A'	3519	3343	0.81
3	A'	3185	3025	12.46
4	A'	3090	2935	5.27
5	A'	1807	1717	195.14
6	A'	1541	1464	21.74
7	A'	1501	1426	67.13
8	A'	1440	1368	1.52
9	A'	1313	1247	96.73
10	A'	1150	1092	184.66
11	A'	1050	997	34.95
12	A'	897	852	0.64
13	A'	559	531	42.06
14	A'	430	409	2.30
15	A"	3165	3006	6.64
16	A"	1523	1447	7.61
17	A"	1101	1046	8.94
18	A"	881	836	29.41
19	A"	634	602	153.57
20	A"	524	498	20.32
21	A"	132	125	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.949	-1.032	0.000
N3	0.241	1.383	0.000
O4	-1.291	-0.295	0.000
H5	1.988	-0.691	0.000
H6	0.770	-1.653	0.884
H7	0.770	-1.653	-0.884
H8	1.248	1.558	0.000
H9	-1.836	0.515	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5025	1.2732	1.3598	2.1519	2.1363	2.1363	1.8940	1.8756
C2	1.5025		2.5164	2.3579	1.0932	1.0953	1.0953	2.6067	3.1861
N3	1.2732	2.5164		2.2724	2.7115	3.2059	3.2059	1.0214	2.2518
O4	1.3598	2.3579	2.2724		3.3024	2.6213	2.6213	3.1428	0.9768
H5	2.1519	1.0932	2.7115	3.3024		1.7862	1.7862	2.3675	4.0099
H6	2.1363	1.0953	3.2059	2.6213	1.7862		1.7685	3.3642	3.5034
H7	2.1363	1.0953	3.2059	2.6213	1.7862	1.7685		3.3642	3.5034
H8	1.8940	2.6067	1.0214	3.1428	2.3675	3.3642	3.3642		3.2556
H9	1.8756	3.1861	2.2518	0.9768	4.0099	3.5034	3.5034	3.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.015	C1	C2	H6	109.642
C1	C2	H7	109.642	C1	N3	H8	110.779
C1	O4	H9	105.608	C2	C1	N3	129.891
C2	C1	O4	110.826	N3	C1	O4	119.283
H5	C2	H6	109.404	H5	C2	H7	109.404
H6	C2	H7	107.668

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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