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	hartrees
Energy at 0K	-208.655893
Energy at 298.15K	-208.662284
HF Energy	-207.999486
Nuclear repulsion energy	121.688553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3833	3661	35.94
2	A'	3568	3408	2.29
3	A'	3166	3024	13.55
4	A'	3068	2930	6.36
5	A'	1810	1729	206.47
6	A'	1522	1453	24.75
7	A'	1493	1426	61.90
8	A'	1427	1363	0.36
9	A'	1333	1273	111.13
10	A'	1152	1100	197.42
11	A'	1043	996	30.37
12	A'	894	854	0.96
13	A'	564	538	44.42
14	A'	432	412	2.39
15	A"	3143	3002	7.73
16	A"	1503	1435	10.31
17	A"	1094	1045	8.13
18	A"	884	844	28.40
19	A"	632	604	156.66
20	A"	525	501	23.58
21	A"	121	116	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.925	-1.053	0.000
N3	0.274	1.373	0.000
O4	-1.294	-0.261	0.000
H5	1.971	-0.740	0.000
H6	0.730	-1.670	0.883
H7	0.730	-1.670	-0.883
H8	1.278	1.521	0.000
H9	-1.824	0.543	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5052	1.2683	1.3531	2.1568	2.1376	2.1376	1.8859	1.8693
C2	1.5052		2.5117	2.3558	1.0924	1.0947	1.0947	2.5984	3.1785
N3	1.2683	2.5117		2.2646	2.7104	3.2012	3.2012	1.0152	2.2565
O4	1.3531	2.3558	2.2646		3.3002	2.6193	2.6193	3.1293	0.9629
H5	2.1568	1.0924	2.7104	3.3002		1.7848	1.7848	2.3652	4.0065
H6	2.1376	1.0947	3.2012	2.6193	1.7848		1.7658	3.3563	3.4928
H7	2.1376	1.0947	3.2012	2.6193	1.7848	1.7658		3.3563	3.4928
H8	1.8859	2.5984	1.0152	3.1293	2.3652	3.3563	3.3563		3.2532
H9	1.8693	3.1785	2.2565	0.9629	4.0065	3.4928	3.4928	3.2532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.263	C1	C2	H6	109.601
C1	C2	H7	109.601	C1	N3	H8	110.873
C1	O4	H9	106.417	C2	C1	N3	129.619
C2	C1	O4	110.901	N3	C1	O4	119.480
H5	C2	H6	109.387	H5	C2	H7	109.387
H6	C2	H7	107.523

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

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

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