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	hartrees
Energy at 0K	-208.767123
Energy at 298.15K	-208.773436
HF Energy	-208.032006
Nuclear repulsion energy	121.772902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3606	58.18
2	A'	3569	3400	6.32
3	A'	3213	3061	9.28
4	A'	3103	2957	5.45
5	A'	1741	1658	183.61
6	A'	1512	1441	19.79
7	A'	1462	1393	59.95
8	A'	1409	1342	4.23
9	A'	1272	1212	88.90
10	A'	1116	1064	167.77
11	A'	1034	985	54.65
12	A'	884	843	1.15
13	A'	556	530	43.11
14	A'	430	410	2.13
15	A"	3191	3040	4.21
16	A"	1489	1419	8.97
17	A"	1079	1028	3.22
18	A"	847	807	27.77
19	A"	590	562	137.03
20	A"	501	477	19.02
21	A"	112	107	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.939	-1.035	0.000
N3	0.254	1.377	0.000
O4	-1.292	-0.284	0.000
H5	1.971	-0.698	0.000
H6	0.759	-1.650	0.880
H7	0.759	-1.650	-0.880
H8	1.258	1.524	0.000
H9	-1.823	0.527	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4968	1.2719	1.3567	2.1385	2.1265	2.1265	1.8772	1.8650
C2	1.4968		2.5077	2.3533	1.0863	1.0885	1.0885	2.5788	3.1724
N3	1.2719	2.5077		2.2690	2.6938	3.1928	3.1928	1.0155	2.2435
O4	1.3567	2.3533	2.2690		3.2891	2.6163	2.6163	3.1261	0.9695
H5	2.1385	1.0863	2.6938	3.2891		1.7748	1.7748	2.3333	3.9867
H6	2.1265	1.0885	3.1928	2.6163	1.7748		1.7600	3.3312	3.4898
H7	2.1265	1.0885	3.1928	2.6163	1.7748	1.7600		3.3312	3.4898
H8	1.8772	2.5788	1.0155	3.1261	2.3333	3.3312	3.3312		3.2382
H9	1.8650	3.1724	2.2435	0.9695	3.9867	3.4898	3.4898	3.2382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.758	C1	C2	H6	109.673
C1	C2	H7	109.673	C1	N3	H8	109.803
C1	O4	H9	105.377	C2	C1	N3	129.661
C2	C1	O4	111.017	N3	C1	O4	119.322
H5	C2	H6	109.395	H5	C2	H7	109.395
H6	C2	H7	107.895

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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