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	hartrees
Energy at 0K	-39.575157
Energy at 298.15K	-39.581390
HF Energy	-39.162275
Nuclear repulsion energy	66.634297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3583	3497	30.94
2	A'	3406	3324	10.81
3	A'	3111	3036	20.10
4	A'	2993	2922	12.87
5	A'	1628	1589	116.49
6	A'	1518	1481	37.42
7	A'	1461	1426	25.99
8	A'	1391	1358	18.30
9	A'	1219	1190	77.62
10	A'	1080	1054	101.64
11	A'	1003	979	170.24
12	A'	826	806	6.12
13	A'	510	498	46.14
14	A'	404	394	4.31
15	A"	3103	3029	13.27
16	A"	1495	1459	10.64
17	A"	1091	1065	2.39
18	A"	846	826	47.08
19	A"	596	581	202.42
20	A"	487	476	5.99
21	A"	114	111	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	1.121	-0.908	0.000
N3	0.034	1.447	0.000
O4	-1.270	-0.500	0.000
H5	2.102	-0.410	0.000
H6	1.033	-1.547	0.891
H7	1.033	-1.547	-0.891
H8	0.996	1.824	0.000
H9	-1.969	0.198	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5299	1.3141	1.4189	2.1709	2.1647	2.1647	1.9621	1.9703
C2	1.5299		2.5936	2.4253	1.1000	1.1006	1.1006	2.7344	3.2822
N3	1.3141	2.5936		2.3431	2.7792	3.2800	3.2800	1.0332	2.3607
O4	1.4189	2.4253	2.3431		3.3728	2.6821	2.6821	3.2455	0.9881
H5	2.1709	1.1000	2.7792	3.3728		1.7976	1.7976	2.4924	4.1162
H6	2.1647	1.1006	3.2800	2.6821	1.7976		1.7826	3.4872	3.5852
H7	2.1647	1.1006	3.2800	2.6821	1.7976	1.7826		3.4872	3.5852
H8	1.9621	2.7344	1.0332	3.2455	2.4924	3.4872	3.4872		3.3817
H9	1.9703	3.2822	2.3607	0.9881	4.1162	3.5852	3.5852	3.3817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.198	C1	C2	H6	109.679
C1	C2	H7	109.679	C1	N3	H8	112.871
C1	O4	H9	108.560	C2	C1	N3	131.402
C2	C1	O4	110.613	N3	C1	O4	117.985
H5	C2	H6	109.545	H5	C2	H7	109.545
H6	C2	H7	108.163

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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