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	hartrees
Energy at 0K	-208.612238
Energy at 298.15K	-208.618576
HF Energy	-207.949910
Nuclear repulsion energy	121.066360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3675	3567
2	A'	3483	3381
3	A'	3168	3075
4	A'	3072	2982
5	A'	1769	1717
6	A'	1533	1488
7	A'	1487	1443
8	A'	1429	1387
9	A'	1299	1261
10	A'	1138	1105
11	A'	1039	1009
12	A'	885	859
13	A'	552	535
14	A'	424	412
15	A"	3147	3055
16	A"	1516	1471
17	A"	1089	1057
18	A"	867	842
19	A"	629	610
20	A"	516	500
21	A"	122	118

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.954	-1.032	0.000
N3	0.238	1.388	0.000
O4	-1.293	-0.299	0.000
H5	1.992	-0.687	0.000
H6	0.777	-1.655	0.886
H7	0.777	-1.655	-0.886
H8	1.247	1.564	0.000
H9	-1.836	0.516	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5045	1.2791	1.3629	2.1537	2.1397	2.1397	1.8990	1.8760
C2	1.5045		2.5239	2.3634	1.0946	1.0967	1.0967	2.6126	3.1906
N3	1.2791	2.5239		2.2784	2.7171	3.2146	3.2146	1.0239	2.2501
O4	1.3629	2.3634	2.2784		3.3082	2.6284	2.6284	3.1499	0.9793
H5	2.1537	1.0946	2.7171	3.3082		1.7882	1.7882	2.3709	4.0129
H6	2.1397	1.0967	3.2146	2.6284	1.7882		1.7711	3.3710	3.5107
H7	2.1397	1.0967	3.2146	2.6284	1.7882	1.7711		3.3710	3.5107
H8	1.8990	2.6126	1.0239	3.1499	2.3709	3.3710	3.3710		3.2562
H9	1.8760	3.1906	2.2501	0.9793	4.0129	3.5107	3.5107	3.2562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.938	C1	C2	H6	109.690
C1	C2	H7	109.690	C1	N3	H8	110.606
C1	O4	H9	105.265	C2	C1	N3	129.939
C2	C1	O4	110.928	N3	C1	O4	119.133
H5	C2	H6	109.380	H5	C2	H7	109.380
H6	C2	H7	107.698

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

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

States and conformations

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