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	hartrees
Energy at 0K	-208.579844
Energy at 298.15K	-208.586218
HF Energy	-207.950443
Nuclear repulsion energy	121.194002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3533	45.73
2	A'	3515	3347	0.79
3	A'	3180	3028	13.10
4	A'	3085	2938	5.72
5	A'	1794	1708	195.36
6	A'	1539	1466	21.80
7	A'	1497	1425	65.06
8	A'	1437	1369	1.86
9	A'	1310	1247	94.45
10	A'	1147	1092	182.33
11	A'	1047	997	36.48
12	A'	892	850	0.61
13	A'	556	530	41.74
14	A'	428	408	2.26
15	A"	3160	3009	7.17
16	A"	1522	1449	7.42
17	A"	1098	1046	8.46
18	A"	876	834	28.87
19	A"	632	602	155.83
20	A"	521	496	18.09
21	A"	130	124	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.955	-1.030	0.000
N3	0.235	1.387	0.000
O4	-1.291	-0.301	0.000
H5	1.993	-0.684	0.000
H6	0.778	-1.652	0.885
H7	0.778	-1.652	-0.885
H8	1.241	1.565	0.000
H9	-1.839	0.508	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5046	1.2757	1.3621	2.1537	2.1387	2.1387	1.8955	1.8765
C2	1.5046		2.5215	2.3613	1.0939	1.0959	1.0959	2.6110	3.1890
N3	1.2757	2.5215		2.2756	2.7161	3.2110	3.2110	1.0218	2.2521
O4	1.3621	2.3613	2.2756		3.3061	2.6248	2.6248	3.1459	0.9772
H5	2.1537	1.0939	2.7161	3.3061		1.7872	1.7872	2.3717	4.0126
H6	2.1387	1.0959	3.2110	2.6248	1.7872		1.7698	3.3686	3.5068
H7	2.1387	1.0959	3.2110	2.6248	1.7872	1.7698		3.3686	3.5068
H8	1.8955	2.6110	1.0218	3.1459	2.3717	3.3686	3.3686		3.2562
H9	1.8765	3.1890	2.2521	0.9772	4.0126	3.5068	3.5068	3.2562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.972	C1	C2	H6	109.649
C1	C2	H7	109.649	C1	N3	H8	110.697
C1	O4	H9	105.493	C2	C1	N3	129.978
C2	C1	O4	110.816	N3	C1	O4	119.206
H5	C2	H6	109.407	H5	C2	H7	109.407
H6	C2	H7	107.693

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

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

States and conformations

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