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	hartrees
Energy at 0K	-208.298904
Energy at 298.15K	-208.305220
HF Energy	-207.851784
Nuclear repulsion energy	119.370684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3604	3473	22.16
2	A'	3451	3325	3.75
3	A'	3117	3003	16.30
4	A'	3030	2920	8.17
5	A'	1728	1665	138.92
6	A'	1544	1488	25.83
7	A'	1476	1423	32.81
8	A'	1443	1390	13.84
9	A'	1269	1222	90.78
10	A'	1107	1067	127.03
11	A'	1028	990	124.04
12	A'	854	823	4.39
13	A'	540	521	43.57
14	A'	420	405	3.84
15	A"	3107	2994	9.45
16	A"	1526	1470	7.43
17	A"	1113	1073	8.52
18	A"	878	846	46.43
19	A"	613	591	201.55
20	A"	514	495	18.92
21	A"	118	114	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	1.070	-0.939	0.000
N3	0.098	1.420	0.000
O4	-1.277	-0.441	0.000
H5	2.072	-0.483	0.000
H6	0.960	-1.577	0.891
H7	0.960	-1.577	-0.891
H8	1.062	1.775	0.000
H9	-1.946	0.280	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5149	1.2908	1.4007	2.1617	2.1538	2.1538	1.9549	1.9511
C2	1.5149		2.5515	2.4000	1.1001	1.1012	1.1012	2.7131	3.2529
N3	1.2908	2.5515		2.3148	2.7421	3.2432	3.2432	1.0268	2.3406
O4	1.4007	2.4000	2.3148		3.3497	2.6625	2.6625	3.2222	0.9830
H5	2.1617	1.1001	2.7421	3.3497		1.7959	1.7959	2.4733	4.0893
H6	2.1538	1.1012	3.2432	2.6625	1.7959		1.7812	3.4690	3.5613
H7	2.1538	1.1012	3.2432	2.6625	1.7959	1.7812		3.4690	3.5613
H8	1.9549	2.7131	1.0268	3.2222	2.4733	3.4690	3.4690		3.3586
H9	1.9511	3.2529	2.3406	0.9830	4.0893	3.5613	3.5613	3.3586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.509	C1	C2	H6	109.825
C1	C2	H7	109.825	C1	N3	H8	114.542
C1	O4	H9	108.601	C2	C1	N3	130.671
C2	C1	O4	110.746	N3	C1	O4	118.584
H5	C2	H6	109.339	H5	C2	H7	109.339
H6	C2	H7	107.957

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)