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	hartrees
Energy at 0K	-208.626624
Energy at 298.15K	-208.632973
HF Energy	-207.974118
Nuclear repulsion energy	121.416032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3564	61.40
2	A'	3607	3388	7.22
3	A'	3255	3057	8.72
4	A'	3139	2948	5.92
5	A'	1749	1643	201.51
6	A'	1535	1441	21.38
7	A'	1473	1383	60.30
8	A'	1417	1331	15.48
9	A'	1261	1185	79.24
10	A'	1122	1054	173.12
11	A'	1044	981	55.69
12	A'	891	837	1.19
13	A'	550	517	43.99
14	A'	430	404	2.18
15	A"	3234	3038	3.36
16	A"	1519	1426	9.06
17	A"	1086	1020	2.68
18	A"	851	800	31.76
19	A"	604	567	144.22
20	A"	519	488	22.70
21	A"	126	119	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.961	-1.019	0.000
N3	0.226	1.389	0.000
O4	-1.287	-0.313	0.000
H5	1.987	-0.664	0.000
H6	0.790	-1.637	0.879
H7	0.790	-1.637	-0.879
H8	1.226	1.570	0.000
H9	-1.846	0.482	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4979	1.2794	1.3612	2.1395	2.1257	2.1257	1.8915	1.8790
C2	1.4979		2.5179	2.3562	1.0857	1.0879	1.0879	2.6030	3.1828
N3	1.2794	2.5179		2.2777	2.7046	3.2010	3.2010	1.0160	2.2618
O4	1.3612	2.3562	2.2777		3.2926	2.6156	2.6156	3.1405	0.9718
H5	2.1395	1.0857	2.7046	3.2926		1.7748	1.7748	2.3603	4.0002
H6	2.1257	1.0879	3.2010	2.6156	1.7748		1.7589	3.3536	3.4945
H7	2.1257	1.0879	3.2010	2.6156	1.7748	1.7589		3.3536	3.4945
H8	1.8915	2.6030	1.0160	3.1405	2.3603	3.3536	3.3536		3.2588
H9	1.8790	3.1828	2.2618	0.9718	4.0002	3.4945	3.4945	3.2588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.807	C1	C2	H6	109.568
C1	C2	H7	109.568	C1	N3	H8	110.456
C1	O4	H9	106.092	C2	C1	N3	129.912
C2	C1	O4	110.906	N3	C1	O4	119.182
H5	C2	H6	109.482	H5	C2	H7	109.482
H6	C2	H7	107.880

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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