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	hartrees
Energy at 0K	-208.568136
Energy at 298.15K	-208.574612
HF Energy	-208.000875
Nuclear repulsion energy	122.452132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3966	3685	51.95
2	A'	3691	3430	3.45
3	A'	3251	3021	15.00
4	A'	3154	2931	6.10
5	A'	1861	1729	260.21
6	A'	1562	1451	26.49
7	A'	1532	1423	74.60
8	A'	1464	1360	0.45
9	A'	1361	1265	116.93
10	A'	1178	1095	203.26
11	A'	1073	997	31.91
12	A'	918	853	0.81
13	A'	578	537	46.74
14	A'	442	411	2.22
15	A"	3228	2999	8.39
16	A"	1546	1436	10.02
17	A"	1128	1048	10.33
18	A"	904	840	30.13
19	A"	657	611	164.08
20	A"	545	506	28.97
21	A"	127	118	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.908	-1.058	0.000
N3	0.289	1.360	0.000
O4	-1.289	-0.242	0.000
H5	1.952	-0.760	0.000
H6	0.707	-1.669	0.877
H7	0.707	-1.669	-0.877
H8	1.286	1.503	0.000
H9	-1.814	0.556	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4989	1.2589	1.3433	2.1468	2.1261	2.1261	1.8779	1.8618
C2	1.4989		2.4955	2.3442	1.0851	1.0874	1.0874	2.5886	3.1642
N3	1.2589	2.4955		2.2492	2.6935	3.1802	3.1802	1.0066	2.2515
O4	1.3433	2.3442	2.2492		3.2822	2.6059	2.6059	3.1109	0.9546
H5	2.1468	1.0851	2.6935	3.2822		1.7729	1.7729	2.3587	3.9884
H6	2.1261	1.0874	3.1802	2.6059	1.7729		1.7540	3.3411	3.4744
H7	2.1261	1.0874	3.1802	2.6059	1.7729	1.7540		3.3411	3.4744
H8	1.8779	2.5886	1.0066	3.1109	2.3587	3.3411	3.3411		3.2410
H9	1.8618	3.1642	2.2515	0.9546	3.9884	3.4744	3.4744	3.2410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.355	C1	C2	H6	109.558
C1	C2	H7	109.558	C1	N3	H8	111.482
C1	O4	H9	107.021	C2	C1	N3	129.406
C2	C1	O4	111.016	N3	C1	O4	119.578
H5	C2	H6	109.389	H5	C2	H7	109.389
H6	C2	H7	107.510

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

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

States and conformations

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