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	hartrees
Energy at 0K	-208.624869
Energy at 298.15K	-208.631252
HF Energy	-207.966497
Nuclear repulsion energy	121.416494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3624	44.72
2	A'	3594	3383	0.85
3	A'	3225	3036	14.57
4	A'	3123	2940	6.71
5	A'	1795	1689	191.75
6	A'	1547	1456	18.45
7	A'	1498	1411	60.67
8	A'	1439	1355	5.49
9	A'	1301	1225	89.62
10	A'	1146	1079	177.66
11	A'	1049	988	40.00
12	A'	893	840	0.66
13	A'	555	522	41.59
14	A'	428	403	2.01
15	A"	3205	3018	8.77
16	A"	1531	1442	5.57
17	A"	1100	1036	6.44
18	A"	878	826	27.09
19	A"	628	591	149.09
20	A"	518	488	17.36
21	A"	130	123	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.945	-1.038	0.000
N3	0.250	1.384	0.000
O4	-1.293	-0.289	0.000
H5	1.979	-0.702	0.000
H6	0.763	-1.653	0.881
H7	0.763	-1.653	-0.881
H8	1.254	1.544	0.000
H9	-1.829	0.517	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5044	1.2750	1.3605	2.1481	2.1329	2.1329	1.8871	1.8692
C2	1.5044		2.5188	2.3598	1.0877	1.0898	1.0898	2.5997	3.1798
N3	1.2750	2.5188		2.2759	2.7090	3.2032	3.2032	1.0163	2.2529
O4	1.3605	2.3598	2.2759		3.2985	2.6200	2.6200	3.1378	0.9678
H5	2.1481	1.0877	2.7090	3.2985		1.7778	1.7778	2.3598	3.9988
H6	2.1329	1.0898	3.2032	2.6200	1.7778		1.7613	3.3522	3.4934
H7	2.1329	1.0898	3.2032	2.6200	1.7778	1.7613		3.3522	3.4934
H8	1.8871	2.5997	1.0163	3.1378	2.3598	3.3522	3.3522		3.2496
H9	1.8692	3.1798	2.2529	0.9678	3.9988	3.4934	3.4934	3.2496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.913	C1	C2	H6	109.571
C1	C2	H7	109.571	C1	N3	H8	110.376
C1	O4	H9	105.552	C2	C1	N3	129.797
C2	C1	O4	110.812	N3	C1	O4	119.391
H5	C2	H6	109.455	H5	C2	H7	109.455
H6	C2	H7	107.820

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)