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	hartrees
Energy at 0K	-208.612918
Energy at 298.15K	-208.619261
HF Energy	-207.949819
Nuclear repulsion energy	121.039636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3671	3671
2	A'	3481	3481
3	A'	3166	3166
4	A'	3070	3070
5	A'	1766	1766
6	A'	1533	1533
7	A'	1485	1485
8	A'	1428	1428
9	A'	1298	1298
10	A'	1137	1137
11	A'	1039	1039
12	A'	884	884
13	A'	551	551
14	A'	424	424
15	A"	3145	3145
16	A"	1515	1515
17	A"	1089	1089
18	A"	867	867
19	A"	630	630
20	A"	515	515
21	A"	125	125

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.956	-1.030	0.000
N3	0.234	1.389	0.000
O4	-1.292	-0.303	0.000
H5	1.994	-0.682	0.000
H6	0.781	-1.653	0.886
H7	0.781	-1.653	-0.886
H8	1.243	1.567	0.000
H9	-1.837	0.512	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5048	1.2794	1.3634	2.1536	2.1400	2.1400	1.8988	1.8758
C2	1.5048		2.5252	2.3635	1.0948	1.0969	1.0969	2.6132	3.1906
N3	1.2794	2.5252		2.2790	2.7178	3.2157	3.2157	1.0240	2.2496
O4	1.3634	2.3635	2.2790		3.3083	2.6281	2.6281	3.1501	0.9795
H5	2.1536	1.0948	2.7178	3.3083		1.7889	1.7889	2.3710	4.0126
H6	2.1400	1.0969	3.2157	2.6281	1.7889		1.7713	3.3717	3.5105
H7	2.1400	1.0969	3.2157	2.6281	1.7889	1.7713		3.3717	3.5105
H8	1.8988	2.6132	1.0240	3.1501	2.3710	3.3717	3.3717		3.2556
H9	1.8758	3.1906	2.2496	0.9795	4.0126	3.5105	3.5105	3.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.887	C1	C2	H6	109.684
C1	C2	H7	109.684	C1	N3	H8	110.546
C1	O4	H9	105.204	C2	C1	N3	129.993
C2	C1	O4	110.885	N3	C1	O4	119.122
H5	C2	H6	109.417	H5	C2	H7	109.417
H6	C2	H7	107.692

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

using model chemistry: QCISD(T)=FULL/6-31G*

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: QCISD(T)=FULL/6-31G*

States and conformations

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