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	hartrees
Energy at 0K	-208.896848
Energy at 298.15K	-208.903338
HF Energy	-208.041199
Nuclear repulsion energy	122.628308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3894	3631	63.44
2	A'	3615	3371	5.96
3	A'	3202	2987	9.60
4	A'	3117	2907	4.44
5	A'	1825	1702	221.46
6	A'	1525	1422	26.03
7	A'	1492	1392	68.35
8	A'	1420	1324	0.10
9	A'	1305	1217	94.32
10	A'	1145	1068	188.90
11	A'	1041	971	30.69
12	A'	905	844	1.03
13	A'	568	529	42.24
14	A'	435	406	1.75
15	A"	3175	2961	4.63
16	A"	1510	1409	7.97
17	A"	1094	1020	7.31
18	A"	887	827	26.49
19	A"	641	598	101.37
20	A"	541	505	37.83
21	A"	156	145	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.898	-1.059	0.000
N3	0.305	1.353	0.000
O4	-1.295	-0.232	0.000
H5	1.937	-0.761	0.000
H6	0.695	-1.667	0.875
H7	0.695	-1.667	-0.875
H8	1.307	1.467	0.000
H9	-1.798	0.584	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4911	1.2589	1.3449	2.1327	2.1168	2.1168	1.8687	1.8543
C2	1.4911		2.4836	2.3436	1.0813	1.0843	1.0843	2.5590	3.1576
N3	1.2589	2.4836		2.2518	2.6703	3.1676	3.1676	1.0084	2.2389
O4	1.3449	2.3436	2.2518		3.2750	2.6045	2.6045	3.1073	0.9592
H5	2.1327	1.0813	2.6703	3.2750		1.7689	1.7689	2.3152	3.9702
H6	2.1168	1.0843	3.1676	2.6045	1.7689		1.7500	3.3105	3.4712
H7	2.1168	1.0843	3.1676	2.6045	1.7689	1.7500		3.3105	3.4712
H8	1.8687	2.5590	1.0084	3.1073	2.3152	3.3105	3.3105		3.2278
H9	1.8543	3.1576	2.2389	0.9592	3.9702	3.4712	3.4712	3.2278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.005	C1	C2	H6	109.547
C1	C2	H7	109.547	C1	N3	H8	110.532
C1	O4	H9	105.966	C2	C1	N3	128.954
C2	C1	O4	111.353	N3	C1	O4	119.693
H5	C2	H6	109.537	H5	C2	H7	109.537
H6	C2	H7	107.602

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

using model chemistry: MP3=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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