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	hartrees
Energy at 0K	-208.996804
Energy at 298.15K	-209.003169
HF Energy	-208.785308
Nuclear repulsion energy	121.547113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3786	3786	44.41
2	A'	3563	3563	1.04
3	A'	3202	3202	12.35
4	A'	3100	3100	5.60
5	A'	1763	1763	202.46
6	A'	1523	1523	22.51
7	A'	1474	1474	65.59
8	A'	1417	1417	4.16
9	A'	1279	1279	93.72
10	A'	1125	1125	175.04
11	A'	1033	1033	39.71
12	A'	884	884	1.14
13	A'	553	553	40.97
14	A'	426	426	1.88
15	A"	3177	3177	6.96
16	A"	1511	1511	6.90
17	A"	1088	1088	8.26
18	A"	856	856	22.83
19	A"	641	641	147.58
20	A"	522	522	15.36
21	A"	127	127	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.937	-1.042	0.000
N3	0.257	1.380	0.000
O4	-1.292	-0.280	0.000
H5	1.975	-0.715	0.000
H6	0.753	-1.660	0.880
H7	0.753	-1.660	-0.880
H8	1.260	1.541	0.000
H9	-1.822	0.532	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5026	1.2739	1.3565	2.1488	2.1343	2.1343	1.8904	1.8654
C2	1.5026		2.5161	2.3559	1.0880	1.0907	1.0907	2.6037	3.1767
N3	1.2739	2.5161		2.2706	2.7095	3.2040	3.2040	1.0167	2.2448
O4	1.3565	2.3559	2.2706		3.2957	2.6196	2.6196	3.1359	0.9700
H5	2.1488	1.0880	2.7095	3.2957		1.7775	1.7775	2.3666	3.9963
H6	2.1343	1.0907	3.2040	2.6196	1.7775		1.7590	3.3589	3.4948
H7	2.1343	1.0907	3.2040	2.6196	1.7775	1.7590		3.3589	3.4948
H8	1.8904	2.6037	1.0167	3.1359	2.3666	3.3589	3.3589		3.2433
H9	1.8654	3.1767	2.2448	0.9700	3.9963	3.4948	3.4948	3.2433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.076	C1	C2	H6	109.755
C1	C2	H7	109.755	C1	N3	H8	110.740
C1	O4	H9	105.391	C2	C1	N3	129.798
C2	C1	O4	110.872	N3	C1	O4	119.330
H5	C2	H6	109.346	H5	C2	H7	109.346
H6	C2	H7	107.490

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

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