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	hartrees
Energy at 0K	-208.877956
Energy at 298.15K	-208.884400
HF Energy	-208.040189
Nuclear repulsion energy	122.321927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3595	64.01
2	A'	3576	3395	7.53
3	A'	3209	3047	6.97
4	A'	3112	2954	4.18
5	A'	1760	1671	182.08
6	A'	1512	1435	22.22
7	A'	1465	1391	71.73
8	A'	1399	1328	0.45
9	A'	1264	1200	89.73
10	A'	1116	1060	181.11
11	A'	1027	975	35.40
12	A'	894	849	1.00
13	A'	556	528	41.79
14	A'	429	408	1.78
15	A"	3182	3021	2.88
16	A"	1502	1426	8.66
17	A"	1078	1024	5.76
18	A"	863	819	23.58
19	A"	641	609	113.19
20	A"	539	512	23.47
21	A"	150	142	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.129	0.000
C2	0.925	-1.037	0.000
N3	0.267	1.368	0.000
O4	-1.289	-0.272	0.000
H5	1.957	-0.714	0.000
H6	0.737	-1.649	0.875
H7	0.737	-1.649	-0.875
H8	1.269	1.508	0.000
H9	-1.806	0.545	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4882	1.2677	1.3496	2.1307	2.1147	2.1147	1.8744	1.8532
C2	1.4882		2.4937	2.3419	1.0817	1.0846	1.0846	2.5686	3.1558
N3	1.2677	2.4937		2.2606	2.6816	3.1771	3.1771	1.0120	2.2304
O4	1.3496	2.3419	2.2606		3.2755	2.6012	2.6012	3.1164	0.9668
H5	2.1307	1.0817	2.6816	3.2755		1.7693	1.7693	2.3261	3.9678
H6	2.1147	1.0846	3.1771	2.6012	1.7693		1.7504	3.3199	3.4709
H7	2.1147	1.0846	3.1771	2.6012	1.7693	1.7504		3.3199	3.4709
H8	1.8744	2.5686	1.0120	3.1164	2.3261	3.3199	3.3199		3.2225
H9	1.8532	3.1558	2.2304	0.9668	3.9678	3.4709	3.4709	3.2225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.024	C1	C2	H6	109.562
C1	C2	H7	109.562	C1	N3	H8	110.107
C1	O4	H9	105.064	C2	C1	N3	129.433
C2	C1	O4	111.132	N3	C1	O4	119.435
H5	C2	H6	109.520	H5	C2	H7	109.520
H6	C2	H7	107.586

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

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

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