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	hartrees
Energy at 0K	-208.973574
Energy at 298.15K	-208.979935
HF Energy	-208.771151
Nuclear repulsion energy	121.428145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3700	3509	44.21
2	A'	3530	3348	0.81
3	A'	3195	3030	12.63
4	A'	3099	2939	5.48
5	A'	1765	1674	203.73
6	A'	1535	1456	23.96
7	A'	1482	1405	62.97
8	A'	1428	1355	5.33
9	A'	1291	1224	93.34
10	A'	1131	1073	175.06
11	A'	1039	985	41.92
12	A'	885	839	1.01
13	A'	553	525	41.06
14	A'	425	403	1.90
15	A"	3170	3006	6.75
16	A"	1522	1444	7.52
17	A"	1096	1040	8.89
18	A"	860	816	24.08
19	A"	646	613	153.85
20	A"	525	498	14.68
21	A"	126	119	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.944	-1.038	0.000
N3	0.248	1.382	0.000
O4	-1.291	-0.287	0.000
H5	1.982	-0.705	0.000
H6	0.764	-1.659	0.881
H7	0.764	-1.659	-0.881
H8	1.252	1.554	0.000
H9	-1.827	0.528	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5031	1.2744	1.3575	2.1509	2.1375	2.1375	1.8945	1.8695
C2	1.5031		2.5182	2.3575	1.0902	1.0928	1.0928	2.6103	3.1825
N3	1.2744	2.5182		2.2703	2.7130	3.2082	3.2082	1.0187	2.2438
O4	1.3575	2.3575	2.2703		3.2992	2.6236	2.6236	3.1394	0.9754
H5	2.1509	1.0902	2.7130	3.2992		1.7803	1.7803	2.3736	4.0031
H6	2.1375	1.0928	3.2082	2.6236	1.7803		1.7621	3.3673	3.5035
H7	2.1375	1.0928	3.2082	2.6236	1.7803	1.7621		3.3673	3.5035
H8	1.8945	2.6103	1.0187	3.1394	2.3736	3.3673	3.3673		3.2454
H9	1.8695	3.1825	2.2438	0.9754	4.0031	3.5035	3.5035	3.2454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.073	C1	C2	H6	109.844
C1	C2	H7	109.844	C1	N3	H8	110.922
C1	O4	H9	105.352	C2	C1	N3	129.911
C2	C1	O4	110.901	N3	C1	O4	119.188
H5	C2	H6	109.276	H5	C2	H7	109.276
H6	C2	H7	107.451

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

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