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	hartrees
Energy at 0K	-209.054359
Energy at 298.15K
HF Energy	-208.822315
Nuclear repulsion energy	121.696630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3755	33.62
2	A'	3551	3551	1.65
3	A'	3172	3172	16.15
4	A'	3078	3078	7.57
5	A'	1748	1748	214.11
6	A'	1519	1519	27.11
7	A'	1468	1468	59.66
8	A'	1413	1413	1.00
9	A'	1299	1299	106.64
10	A'	1123	1123	185.81
11	A'	1033	1033	46.14
12	A'	880	880	1.40
13	A'	555	555	43.17
14	A'	427	427	2.18
15	A"	3146	3146	9.44
16	A"	1506	1506	10.38
17	A"	1089	1089	7.70
18	A"	857	857	23.43
19	A"	653	653	165.03
20	A"	526	526	14.45
21	A"	118	118	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.938	-1.040	0.000
N3	0.253	1.378	0.000
O4	-1.289	-0.280	0.000
H5	1.977	-0.716	0.000
H6	0.755	-1.660	0.879
H7	0.755	-1.660	-0.879
H8	1.253	1.553	0.000
H9	-1.828	0.523	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5018	1.2703	1.3540	2.1516	2.1347	2.1347	1.8937	1.8691
C2	1.5018		2.5126	2.3534	1.0885	1.0910	1.0910	2.6117	3.1770
N3	1.2703	2.5126		2.2648	2.7117	3.2017	3.2017	1.0147	2.2502
O4	1.3540	2.3534	2.2648		3.2954	2.6184	2.6184	3.1343	0.9670
H5	2.1516	1.0885	2.7117	3.2954		1.7769	1.7769	2.3813	4.0016
H6	2.1347	1.0910	3.2017	2.6184	1.7769		1.7578	3.3678	3.4942
H7	2.1347	1.0910	3.2017	2.6184	1.7769	1.7578		3.3678	3.4942
H8	1.8937	2.6117	1.0147	3.1343	2.3813	3.3678	3.3678		3.2485
H9	1.8691	3.1770	2.2502	0.9670	4.0016	3.4942	3.4942	3.2485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.327	C1	C2	H6	109.820
C1	C2	H7	109.820	C1	N3	H8	111.448
C1	O4	H9	106.075	C2	C1	N3	129.835
C2	C1	O4	110.884	N3	C1	O4	119.281
H5	C2	H6	109.228	H5	C2	H7	109.228
H6	C2	H7	107.328

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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