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	hartrees
Energy at 0K	-39.826731
Energy at 298.15K	-39.833052
HF Energy	-39.255976
Nuclear repulsion energy	67.638147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3536	54.41
2	A'	3551	3371	3.26
3	A'	3223	3060	17.15
4	A'	3108	2951	10.18
5	A'	1736	1648	201.95
6	A'	1511	1434	21.69
7	A'	1473	1398	71.87
8	A'	1405	1334	5.71
9	A'	1285	1220	90.12
10	A'	1124	1067	192.01
11	A'	1034	981	35.29
12	A'	880	836	0.66
13	A'	539	511	44.67
14	A'	415	394	2.07
15	A"	3206	3043	9.89
16	A"	1501	1425	9.76
17	A"	1088	1033	5.92
18	A"	851	808	27.12
19	A"	621	590	167.18
20	A"	521	495	13.32
21	A"	131	125	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.972	-1.038	0.000
N3	0.224	1.412	0.000
O4	-1.299	-0.316	0.000
H5	2.013	-0.679	0.000
H6	0.794	-1.661	0.893
H7	0.794	-1.661	-0.893
H8	1.237	1.578	0.000
H9	-1.849	0.498	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5224	1.2983	1.3742	2.1710	2.1554	2.1554	1.9026	1.8851
C2	1.5224		2.5621	2.3830	1.1014	1.1030	1.1030	2.6301	3.2129
N3	1.2983	2.5621		2.3033	2.7522	3.2505	3.2505	1.0270	2.2659
O4	1.3742	2.3830	2.3033		3.3319	2.6425	2.6425	3.1656	0.9831
H5	2.1710	1.1014	2.7522	3.3319		1.8026	1.8026	2.3871	4.0382
H6	2.1554	1.1030	3.2505	2.6425	1.8026		1.7851	3.3895	3.5277
H7	2.1554	1.1030	3.2505	2.6425	1.8026	1.7851		3.3895	3.5277
H8	1.9026	2.6301	1.0270	3.1656	2.3871	3.3895	3.3895		3.2704
H9	1.8851	3.2129	2.2659	0.9831	4.0382	3.5277	3.5277	3.2704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.652	C1	C2	H6	109.332
C1	C2	H7	109.332	C1	N3	H8	109.258
C1	O4	H9	104.984	C2	C1	N3	130.377
C2	C1	O4	110.603	N3	C1	O4	119.020
H5	C2	H6	109.721	H5	C2	H7	109.721
H6	C2	H7	108.038

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

using model chemistry: MP2/CEP-31G*

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-31G*

States and conformations

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