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	hartrees
Energy at 0K	-208.718644
Energy at 298.15K	-208.724996
HF Energy	-208.032767
Nuclear repulsion energy	121.861681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3855	3654	52.50
2	A'	3577	3391	4.74
3	A'	3191	3025	13.17
4	A'	3093	2932	6.85
5	A'	1797	1704	208.91
6	A'	1520	1441	16.09
7	A'	1483	1406	56.67
8	A'	1427	1353	1.71
9	A'	1307	1239	88.97
10	A'	1140	1080	176.94
11	A'	1045	990	48.87
12	A'	889	843	1.20
13	A'	564	535	42.29
14	A'	433	411	2.04
15	A"	3169	3004	7.35
16	A"	1496	1418	7.52
17	A"	1090	1034	3.68
18	A"	872	827	31.13
19	A"	584	554	121.23
20	A"	502	476	34.40
21	A"	121	115	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.919	-1.054	0.000
N3	0.285	1.367	0.000
O4	-1.299	-0.254	0.000
H5	1.959	-0.736	0.000
H6	0.726	-1.665	0.882
H7	0.726	-1.665	-0.882
H8	1.291	1.492	0.000
H9	-1.820	0.557	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5017	1.2649	1.3553	2.1439	2.1315	2.1315	1.8737	1.8689
C2	1.5017		2.5020	2.3571	1.0881	1.0903	1.0903	2.5727	3.1777
N3	1.2649	2.5020		2.2656	2.6880	3.1884	3.1884	1.0144	2.2554
O4	1.3553	2.3571	2.2656		3.2934	2.6210	2.6210	3.1233	0.9645
H5	2.1439	1.0881	2.6880	3.2934		1.7782	1.7782	2.3258	3.9949
H6	2.1315	1.0903	3.1884	2.6210	1.7782		1.7636	3.3264	3.4933
H7	2.1315	1.0903	3.1884	2.6210	1.7782	1.7636		3.3264	3.4933
H8	1.8737	2.5727	1.0144	3.1233	2.3258	3.3264	3.3264		3.2491
H9	1.8689	3.1777	2.2554	0.9645	3.9949	3.4933	3.4933	3.2491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.737	C1	C2	H6	109.620
C1	C2	H7	109.620	C1	N3	H8	110.096
C1	O4	H9	106.120	C2	C1	N3	129.274
C2	C1	O4	111.079	N3	C1	O4	119.647
H5	C2	H6	109.430	H5	C2	H7	109.430
H6	C2	H7	107.953

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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