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	hartrees
Energy at 0K	-207.211090
Energy at 298.15K	-207.217411
HF Energy	-206.784040
Nuclear repulsion energy	120.027210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3573	3573	11.54
2	A'	3415	3415	1.57
3	A'	3171	3171	12.53
4	A'	3091	3091	4.36
5	A'	1768	1768	110.42
6	A'	1579	1579	29.25
7	A'	1488	1488	44.78
8	A'	1468	1468	15.31
9	A'	1283	1283	97.10
10	A'	1116	1116	128.99
11	A'	1026	1026	124.50
12	A'	843	843	0.81
13	A'	547	547	42.25
14	A'	409	409	3.45
15	A"	3157	3157	6.50
16	A"	1569	1569	6.91
17	A"	1135	1135	11.49
18	A"	899	899	39.78
19	A"	621	621	160.48
20	A"	516	516	28.98
21	A"	116	116	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.141	0.000
C2	1.047	-0.958	0.000
N3	0.126	1.408	0.000
O4	-1.278	-0.417	0.000
H5	2.052	-0.528	0.000
H6	0.912	-1.585	0.887
H7	0.912	-1.585	-0.887
H8	1.100	1.738	0.000
H9	-1.918	0.339	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5173	1.2730	1.3943	2.1589	2.1445	2.1445	1.9389	1.9283
C2	1.5173		2.5379	2.3867	1.0935	1.0949	1.0949	2.6959	3.2360
N3	1.2730	2.5379		2.3022	2.7309	3.2190	3.2190	1.0277	2.3068
O4	1.3943	2.3867	2.3022		3.3323	2.6361	2.6361	3.2085	0.9906
H5	2.1589	1.0935	2.7309	3.3323		1.7899	1.7899	2.4584	4.0643
H6	2.1445	1.0949	3.2190	2.6361	1.7899		1.7738	3.4446	3.5358
H7	2.1445	1.0949	3.2190	2.6361	1.7899	1.7738		3.4446	3.5358
H8	1.9389	2.6959	1.0277	3.2085	2.4584	3.4446	3.4446		3.3261
H9	1.9283	3.2360	2.3068	0.9906	4.0643	3.5358	3.5358	3.3261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.510	C1	C2	H6	109.294
C1	C2	H7	109.294	C1	N3	H8	114.443
C1	O4	H9	106.690	C2	C1	N3	130.684
C2	C1	O4	110.044	N3	C1	O4	119.272
H5	C2	H6	109.752	H5	C2	H7	109.752
H6	C2	H7	108.198

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

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

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