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	hartrees
Energy at 0K	-208.728537
Energy at 298.15K	-208.734942
HF Energy	-207.999968
Nuclear repulsion energy	121.927469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3869	39.33
2	A'	3603	3603	2.44
3	A'	3194	3194	12.70
4	A'	3095	3095	5.35
5	A'	1822	1822	216.64
6	A'	1528	1528	27.27
7	A'	1501	1501	65.59
8	A'	1432	1432	0.48
9	A'	1340	1340	114.23
10	A'	1159	1159	199.52
11	A'	1047	1047	28.86
12	A'	901	901	1.02
13	A'	567	567	45.60
14	A'	434	434	2.37
15	A"	3170	3170	6.70
16	A"	1509	1509	10.91
17	A"	1097	1097	8.79
18	A"	886	886	28.09
19	A"	637	637	158.50
20	A"	528	528	24.36
21	A"	121	121	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.918	-1.056	0.000
N3	0.281	1.368	0.000
O4	-1.293	-0.252	0.000
H5	1.964	-0.749	0.000
H6	0.720	-1.671	0.881
H7	0.720	-1.671	-0.881
H8	1.284	1.512	0.000
H9	-1.817	0.553	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5027	1.2662	1.3497	2.1527	2.1334	2.1334	1.8834	1.8650
C2	1.5027		2.5065	2.3528	1.0900	1.0924	1.0924	2.5937	3.1733
N3	1.2662	2.5065		2.2597	2.7038	3.1946	3.1946	1.0127	2.2516
O4	1.3497	2.3528	2.2597		3.2945	2.6158	2.6158	3.1231	0.9605
H5	2.1527	1.0900	2.7038	3.2945		1.7814	1.7814	2.3603	3.9986
H6	2.1334	1.0924	3.1946	2.6158	1.7814		1.7617	3.3502	3.4870
H7	2.1334	1.0924	3.1946	2.6158	1.7814	1.7617		3.3502	3.4870
H8	1.8834	2.5937	1.0127	3.1231	2.3603	3.3502	3.3502		3.2461
H9	1.8650	3.1733	2.2516	0.9605	3.9986	3.4870	3.4870	3.2461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.263	C1	C2	H6	109.578
C1	C2	H7	109.578	C1	N3	H8	110.983
C1	O4	H9	106.442	C2	C1	N3	129.511
C2	C1	O4	111.030	N3	C1	O4	119.459
H5	C2	H6	109.428	H5	C2	H7	109.428
H6	C2	H7	107.488

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

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

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