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	hartrees
Energy at 0K	-208.284943
Energy at 298.15K	-208.291310
HF Energy	-207.853431
Nuclear repulsion energy	119.822857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3687	27.37
2	A'	3505	3505	3.57
3	A'	3158	3158	16.02
4	A'	3070	3070	6.81
5	A'	1776	1776	144.38
6	A'	1559	1559	24.70
7	A'	1493	1493	42.72
8	A'	1461	1461	11.32
9	A'	1288	1288	95.63
10	A'	1122	1122	143.39
11	A'	1045	1045	112.91
12	A'	872	872	4.17
13	A'	549	549	45.14
14	A'	427	427	3.87
15	A"	3147	3147	8.59
16	A"	1539	1539	7.89
17	A"	1125	1125	9.67
18	A"	898	898	48.39
19	A"	611	611	199.36
20	A"	521	521	26.75
21	A"	127	127	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	1.053	-0.951	0.000
N3	0.122	1.411	0.000
O4	-1.281	-0.418	0.000
H5	2.058	-0.510	0.000
H6	0.933	-1.586	0.888
H7	0.933	-1.586	-0.888
H8	1.088	1.748	0.000
H9	-1.940	0.304	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5114	1.2841	1.3943	2.1564	2.1479	2.1479	1.9470	1.9476
C2	1.5114		2.5392	2.3939	1.0973	1.0983	1.0983	2.6986	3.2457
N3	1.2841	2.5392		2.3053	2.7280	3.2294	3.2294	1.0233	2.3406
O4	1.3943	2.3939	2.3053		3.3401	2.6557	2.6557	3.2098	0.9779
H5	2.1564	1.0973	2.7280	3.3401		1.7919	1.7919	2.4573	4.0803
H6	2.1479	1.0983	3.2294	2.6557	1.7919		1.7765	3.4529	3.5516
H7	2.1479	1.0983	3.2294	2.6557	1.7919	1.7765		3.4529	3.5516
H8	1.9470	2.6986	1.0233	3.2098	2.4573	3.4529	3.4529		3.3550
H9	1.9476	3.2457	2.3406	0.9779	4.0803	3.5516	3.5516	3.3550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.506	C1	C2	H6	109.770
C1	C2	H7	109.770	C1	N3	H8	114.624
C1	O4	H9	109.111	C2	C1	N3	130.376
C2	C1	O4	110.885	N3	C1	O4	118.738
H5	C2	H6	109.403	H5	C2	H7	109.403
H6	C2	H7	107.943

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

using model chemistry: MP3=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: MP3=FULL/6-31G

States and conformations

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