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	hartrees
Energy at 0K	-208.291002
Energy at 298.15K	-208.297216
HF Energy	-207.887233
Nuclear repulsion energy	118.376473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3617	3484	36.78
2	A'	3472	3344	8.26
3	A'	3160	3043	19.54
4	A'	3043	2931	11.74
5	A'	1651	1590	127.29
6	A'	1528	1472	39.00
7	A'	1468	1414	30.41
8	A'	1400	1348	20.15
9	A'	1226	1180	88.13
10	A'	1082	1042	91.28
11	A'	1006	969	184.63
12	A'	832	801	5.58
13	A'	514	495	47.52
14	A'	406	391	4.19
15	A"	3149	3032	13.25
16	A"	1515	1459	11.71
17	A"	1108	1067	7.32
18	A"	862	831	49.61
19	A"	616	593	212.83
20	A"	500	481	15.24
21	A"	105	101	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	1.108	-0.916	0.000
N3	0.049	1.441	0.000
O4	-1.269	-0.486	0.000
H5	2.098	-0.433	0.000
H6	1.013	-1.556	0.893
H7	1.013	-1.556	-0.893
H8	1.005	1.829	0.000
H9	-1.971	0.210	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5262	1.3093	1.4118	2.1735	2.1622	2.1622	1.9719	1.9729
C2	1.5262		2.5846	2.4162	1.1016	1.1025	1.1025	2.7474	3.2795
N3	1.3093	2.5846		2.3347	2.7773	3.2725	3.2725	1.0320	2.3659
O4	1.4118	2.4162	2.3347		3.3679	2.6737	2.6737	3.2453	0.9888
H5	2.1735	1.1016	2.7773	3.3679		1.7991	1.7991	2.5126	4.1204
H6	2.1622	1.1025	3.2725	2.6737	1.7991		1.7852	3.5011	3.5807
H7	2.1622	1.1025	3.2725	2.6737	1.7991	1.7852		3.5011	3.5807
H8	1.9719	2.7474	1.0320	3.2453	2.5126	3.5011	3.5011		3.3885
H9	1.9729	3.2795	2.3659	0.9888	4.1204	3.5807	3.5807	3.3885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.566	C1	C2	H6	109.624
C1	C2	H7	109.624	C1	N3	H8	114.234
C1	O4	H9	109.270	C2	C1	N3	131.273
C2	C1	O4	110.590	N3	C1	O4	118.136
H5	C2	H6	109.430	H5	C2	H7	109.430
H6	C2	H7	108.126

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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