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	hartrees
Energy at 0K	-208.632818
Energy at 298.15K	-208.639197
HF Energy	-207.974833
Nuclear repulsion energy	121.473747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3645	56.77
2	A'	3614	3406	5.38
3	A'	3231	3045	12.43
4	A'	3127	2947	7.33
5	A'	1804	1700	225.86
6	A'	1540	1451	16.35
7	A'	1490	1404	62.59
8	A'	1435	1352	8.96
9	A'	1294	1219	80.34
10	A'	1145	1079	182.70
11	A'	1053	992	47.82
12	A'	896	844	1.25
13	A'	558	525	43.44
14	A'	432	407	2.13
15	A"	3211	3025	6.08
16	A"	1521	1433	7.52
17	A"	1095	1032	3.36
18	A"	874	823	34.89
19	A"	599	564	127.19
20	A"	517	487	38.83
21	A"	132	124	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.939	-1.041	0.000
N3	0.261	1.379	0.000
O4	-1.296	-0.280	0.000
H5	1.974	-0.706	0.000
H6	0.755	-1.655	0.881
H7	0.755	-1.655	-0.881
H8	1.264	1.534	0.000
H9	-1.842	0.518	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5031	1.2729	1.3602	2.1449	2.1313	2.1313	1.8874	1.8822
C2	1.5031		2.5127	2.3610	1.0875	1.0896	1.0896	2.5953	3.1885
N3	1.2729	2.5127		2.2750	2.6985	3.1974	3.1974	1.0155	2.2726
O4	1.3602	2.3610	2.2750		3.2976	2.6219	2.6219	3.1380	0.9672
H5	2.1449	1.0875	2.6985	3.2976		1.7779	1.7779	2.3501	4.0079
H6	2.1313	1.0896	3.1974	2.6219	1.7779		1.7623	3.3473	3.4994
H7	2.1313	1.0896	3.1974	2.6219	1.7779	1.7623		3.3473	3.4994
H8	1.8874	2.5953	1.0155	3.1380	2.3501	3.3473	3.3473		3.2687
H9	1.8822	3.1885	2.2726	0.9672	4.0079	3.4994	3.4994	3.2687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.761	C1	C2	H6	109.548
C1	C2	H7	109.548	C1	N3	H8	110.627
C1	O4	H9	106.724	C2	C1	N3	129.504
C2	C1	O4	110.998	N3	C1	O4	119.498
H5	C2	H6	109.500	H5	C2	H7	109.500
H6	C2	H7	107.934

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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