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	hartrees
Energy at 0K	-207.748259
Energy at 298.15K	-207.754542
HF Energy	-207.606460
Nuclear repulsion energy	120.261203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3488	13.62
2	A'	3404	3404	1.66
3	A'	3181	3181	11.18
4	A'	3095	3095	4.06
5	A'	1724	1724	120.75
6	A'	1563	1563	36.61
7	A'	1473	1473	35.02
8	A'	1442	1442	24.59
9	A'	1247	1247	97.22
10	A'	1096	1096	116.48
11	A'	1012	1012	137.12
12	A'	841	841	0.82
13	A'	538	538	40.95
14	A'	404	404	3.09
15	A"	3158	3158	5.65
16	A"	1561	1561	8.27
17	A"	1126	1126	12.09
18	A"	862	862	34.75
19	A"	655	655	166.66
20	A"	522	522	19.49
21	A"	101	101	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.139	0.000
C2	1.056	-0.941	0.000
N3	0.101	1.410	0.000
O4	-1.264	-0.436	0.000
H5	2.056	-0.507	0.000
H6	0.929	-1.572	0.883
H7	0.929	-1.572	-0.883
H8	1.067	1.761	0.000
H9	-1.913	0.319	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5106	1.2751	1.3887	2.1546	2.1385	2.1385	1.9416	1.9219
C2	1.5106		2.5379	2.3738	1.0902	1.0926	1.0926	2.7025	3.2255
N3	1.2751	2.5379		2.2964	2.7376	3.2191	3.2191	1.0278	2.2913
O4	1.3887	2.3738	2.2964		3.3201	2.6231	2.6231	3.2036	0.9962
H5	2.1546	1.0902	2.7376	3.3201		1.7842	1.7842	2.4738	4.0539
H6	2.1385	1.0926	3.2191	2.6231	1.7842		1.7657	3.4513	3.5268
H7	2.1385	1.0926	3.2191	2.6231	1.7842	1.7657		3.4513	3.5268
H8	1.9416	2.7025	1.0278	3.2036	2.4738	3.4513	3.4513		3.3113
H9	1.9219	3.2255	2.2913	0.9962	4.0539	3.5268	3.5268	3.3113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.842	C1	C2	H6	109.418
C1	C2	H7	109.418	C1	N3	H8	114.510
C1	O4	H9	106.215	C2	C1	N3	131.115
C2	C1	O4	109.848	N3	C1	O4	119.037
H5	C2	H6	109.649	H5	C2	H7	109.649
H6	C2	H7	107.809

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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