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	hartrees
Energy at 0K	-209.054358
Energy at 298.15K	-209.060721
HF Energy	-208.822314
Nuclear repulsion energy	121.696505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3755	33.60
2	A'	3550	3550	1.65
3	A'	3172	3172	16.13
4	A'	3079	3079	7.57
5	A'	1748	1748	214.09
6	A'	1519	1519	26.98
7	A'	1468	1468	59.68
8	A'	1413	1413	1.02
9	A'	1298	1298	107.34
10	A'	1122	1122	184.81
11	A'	1032	1032	46.50
12	A'	880	880	1.39
13	A'	555	555	43.40
14	A'	426	426	2.13
15	A"	3146	3146	9.43
16	A"	1506	1506	10.38
17	A"	1089	1089	7.67
18	A"	856	856	23.47
19	A"	652	652	164.88
20	A"	526	526	14.65
21	A"	117	117	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.939	-1.039	0.000
N3	0.253	1.378	0.000
O4	-1.289	-0.281	0.000
H5	1.978	-0.715	0.000
H6	0.756	-1.659	0.879
H7	0.756	-1.659	-0.879
H8	1.252	1.554	0.000
H9	-1.828	0.522	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5018	1.2703	1.3540	2.1517	2.1346	2.1346	1.8938	1.8691
C2	1.5018		2.5128	2.3533	1.0884	1.0910	1.0910	2.6122	3.1770
N3	1.2703	2.5128		2.2648	2.7120	3.2017	3.2017	1.0147	2.2501
O4	1.3540	2.3533	2.2648		3.2954	2.6181	2.6181	3.1344	0.9670
H5	2.1517	1.0884	2.7120	3.2954		1.7769	1.7769	2.3821	4.0017
H6	2.1346	1.0910	3.2017	2.6181	1.7769		1.7578	3.3682	3.4940
H7	2.1346	1.0910	3.2017	2.6181	1.7769	1.7578		3.3682	3.4940
H8	1.8938	2.6122	1.0147	3.1344	2.3821	3.3682	3.3682		3.2485
H9	1.8691	3.1770	2.2501	0.9670	4.0017	3.4940	3.4940	3.2485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.335	C1	C2	H6	109.812
C1	C2	H7	109.812	C1	N3	H8	111.465
C1	O4	H9	106.078	C2	C1	N3	129.847
C2	C1	O4	110.877	N3	C1	O4	119.276
H5	C2	H6	109.230	H5	C2	H7	109.230
H6	C2	H7	107.331

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

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

States and conformations

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