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	hartrees
Energy at 0K	-209.096088
Energy at 298.15K	-209.102442
HF Energy	-208.855868
Nuclear repulsion energy	121.756155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3590	52.81
2	A'	3545	3382	4.97
3	A'	3173	3028	11.60
4	A'	3078	2937	5.98
5	A'	1733	1653	220.64
6	A'	1503	1435	23.07
7	A'	1452	1386	56.05
8	A'	1403	1339	5.89
9	A'	1269	1211	90.14
10	A'	1106	1055	165.32
11	A'	1028	981	63.96
12	A'	875	835	1.14
13	A'	554	529	41.24
14	A'	429	410	2.01
15	A"	3147	3003	5.87
16	A"	1490	1421	9.49
17	A"	1082	1032	4.97
18	A"	847	808	28.51
19	A"	619	590	137.98
20	A"	518	494	20.75
21	A"	123	118	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.936	-1.039	0.000
N3	0.259	1.373	0.000
O4	-1.293	-0.277	0.000
H5	1.971	-0.708	0.000
H6	0.755	-1.656	0.879
H7	0.755	-1.656	-0.879
H8	1.260	1.539	0.000
H9	-1.830	0.530	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4994	1.2684	1.3563	2.1426	2.1309	2.1309	1.8889	1.8723
C2	1.4994		2.5058	2.3561	1.0866	1.0894	1.0894	2.5983	3.1798
N3	1.2684	2.5058		2.2660	2.6948	3.1934	3.1934	1.0145	2.2530
O4	1.3563	2.3561	2.2660		3.2926	2.6211	2.6211	3.1334	0.9687
H5	2.1426	1.0866	2.6948	3.2926		1.7753	1.7753	2.3564	3.9971
H6	2.1309	1.0894	3.1934	2.6211	1.7753		1.7586	3.3522	3.4973
H7	2.1309	1.0894	3.1934	2.6211	1.7753	1.7586		3.3522	3.4973
H8	1.8889	2.5983	1.0145	3.1334	2.3564	3.3522	3.3522		3.2506
H9	1.8723	3.1798	2.2530	0.9687	3.9971	3.4973	3.4973	3.2506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.885	C1	C2	H6	109.787
C1	C2	H7	109.787	C1	N3	H8	111.183
C1	O4	H9	106.074	C2	C1	N3	129.557
C2	C1	O4	111.090	N3	C1	O4	119.353
H5	C2	H6	109.342	H5	C2	H7	109.342
H6	C2	H7	107.635

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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