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	hartrees
Energy at 0K	-208.664279
Energy at 298.15K	-208.670648
HF Energy	-207.998994
Nuclear repulsion energy	121.506047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3638	33.27
2	A'	3551	3400	1.77
3	A'	3154	3019	14.96
4	A'	3059	2929	7.24
5	A'	1778	1703	209.22
6	A'	1519	1454	24.40
7	A'	1487	1423	58.92
8	A'	1423	1363	0.30
9	A'	1325	1268	105.47
10	A'	1145	1097	193.40
11	A'	1039	995	33.07
12	A'	888	850	0.86
13	A'	559	535	44.04
14	A'	429	411	2.30
15	A"	3132	2999	8.94
16	A"	1502	1438	9.99
17	A"	1089	1042	7.12
18	A"	872	834	26.68
19	A"	634	607	160.90
20	A"	522	500	18.65
21	A"	117	112	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.931	-1.050	0.000
N3	0.266	1.378	0.000
O4	-1.294	-0.269	0.000
H5	1.976	-0.731	0.000
H6	0.739	-1.668	0.884
H7	0.739	-1.668	-0.884
H8	1.271	1.533	0.000
H9	-1.825	0.536	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5062	1.2724	1.3550	2.1575	2.1389	2.1389	1.8897	1.8690
C2	1.5062		2.5176	2.3579	1.0930	1.0952	1.0952	2.6051	3.1801
N3	1.2724	2.5176		2.2685	2.7156	3.2070	3.2070	1.0161	2.2545
O4	1.3550	2.3579	2.2685		3.3027	2.6215	2.6215	3.1338	0.9647
H5	2.1575	1.0930	2.7156	3.3027		1.7857	1.7857	2.3716	4.0074
H6	2.1389	1.0952	3.2070	2.6215	1.7857		1.7672	3.3629	3.4953
H7	2.1389	1.0952	3.2070	2.6215	1.7857	1.7672		3.3629	3.4953
H8	1.8897	2.6051	1.0161	3.1338	2.3716	3.3629	3.3629		3.2521
H9	1.8690	3.1801	2.2545	0.9647	4.0074	3.4953	3.4953	3.2521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.219	C1	C2	H6	109.602
C1	C2	H7	109.602	C1	N3	H8	110.830
C1	O4	H9	106.137	C2	C1	N3	129.745
C2	C1	O4	110.888	N3	C1	O4	119.367
H5	C2	H6	109.387	H5	C2	H7	109.387
H6	C2	H7	107.568

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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