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	hartrees
Energy at 0K	-208.572602
Energy at 298.15K	-208.579000
HF Energy	-207.950961
Nuclear repulsion energy	121.375441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3541	48.68
2	A'	3531	3342	1.17
3	A'	3193	3022	11.78
4	A'	3095	2930	4.93
5	A'	1825	1728	191.59
6	A'	1543	1460	21.22
7	A'	1504	1424	69.52
8	A'	1442	1365	1.14
9	A'	1318	1248	99.97
10	A'	1152	1091	186.31
11	A'	1051	995	33.74
12	A'	899	851	0.76
13	A'	561	531	42.10
14	A'	432	409	2.40
15	A"	3173	3003	6.09
16	A"	1524	1443	7.71
17	A"	1104	1045	9.34
18	A"	888	840	30.53
19	A"	630	596	151.73
20	A"	524	496	22.71
21	A"	134	127	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.945	-1.036	0.000
N3	0.249	1.381	0.000
O4	-1.293	-0.289	0.000
H5	1.985	-0.699	0.000
H6	0.763	-1.656	0.884
H7	0.763	-1.656	-0.884
H8	1.256	1.549	0.000
H9	-1.836	0.521	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5036	1.2717	1.3600	2.1526	2.1371	2.1371	1.8920	1.8763
C2	1.5036		2.5151	2.3588	1.0933	1.0953	1.0953	2.6033	3.1870
N3	1.2717	2.5151		2.2726	2.7094	3.2046	3.2046	1.0211	2.2549
O4	1.3600	2.3588	2.2726		3.3031	2.6221	2.6221	3.1421	0.9755
H5	2.1526	1.0933	2.7094	3.3031		1.7865	1.7865	2.3630	4.0109
H6	2.1371	1.0953	3.2046	2.6221	1.7865		1.7687	3.3609	3.5037
H7	2.1371	1.0953	3.2046	2.6221	1.7865	1.7687		3.3609	3.5037
H8	1.8920	2.6033	1.0211	3.1421	2.3630	3.3609	3.3609		3.2581
H9	1.8763	3.1870	2.2549	0.9755	4.0109	3.5037	3.5037	3.2581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.982	C1	C2	H6	109.630
C1	C2	H7	109.630	C1	N3	H8	110.737
C1	O4	H9	105.729	C2	C1	N3	129.790
C2	C1	O4	110.819	N3	C1	O4	119.392
H5	C2	H6	109.425	H5	C2	H7	109.425
H6	C2	H7	107.684

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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