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	hartrees
Energy at 0K	-208.711751
Energy at 298.15K	-208.718126
HF Energy	-207.981389
Nuclear repulsion energy	121.814757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3581	61.31
2	A'	3590	3391	6.44
3	A'	3234	3054	5.79
4	A'	3119	2946	2.72
5	A'	1759	1661	169.81
6	A'	1512	1428	22.55
7	A'	1469	1387	69.47
8	A'	1404	1326	0.55
9	A'	1270	1200	97.53
10	A'	1119	1057	172.53
11	A'	1027	970	27.79
12	A'	889	840	0.92
13	A'	550	520	40.84
14	A'	421	398	1.56
15	A"	3208	3030	2.06
16	A"	1499	1416	7.36
17	A"	1076	1016	7.91
18	A"	865	817	22.64
19	A"	639	604	125.93
20	A"	527	498	14.77
21	A"	130	123	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.919	-1.051	0.000
N3	0.276	1.376	0.000
O4	-1.292	-0.264	0.000
H5	1.961	-0.740	0.000
H6	0.724	-1.667	0.879
H7	0.724	-1.667	-0.879
H8	1.282	1.512	0.000
H9	-1.804	0.557	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4990	1.2735	1.3513	2.1470	2.1298	2.1298	1.8836	1.8528
C2	1.4990		2.5113	2.3465	1.0879	1.0907	1.0907	2.5895	3.1621
N3	1.2735	2.5113		2.2689	2.7057	3.1990	3.1990	1.0158	2.2351
O4	1.3513	2.3465	2.2689		3.2876	2.6082	2.6082	3.1277	0.9677
H5	2.1470	1.0879	2.7057	3.2876		1.7783	1.7783	2.3529	3.9823
H6	2.1298	1.0907	3.1990	2.6082	1.7783		1.7583	3.3455	3.4795
H7	2.1298	1.0907	3.1990	2.6082	1.7783	1.7583		3.3455	3.4795
H8	1.8836	2.5895	1.0158	3.1277	2.3529	3.3455	3.3455		3.2306
H9	1.8528	3.1621	2.2351	0.9677	3.9823	3.4795	3.4795	3.2306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.195	C1	C2	H6	109.649
C1	C2	H7	109.649	C1	N3	H8	110.223
C1	O4	H9	104.854	C2	C1	N3	129.681
C2	C1	O4	110.715	N3	C1	O4	119.604
H5	C2	H6	109.424	H5	C2	H7	109.424
H6	C2	H7	107.420

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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