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	hartrees
Energy at 0K	-207.222776
Energy at 298.15K	-207.229042
HF Energy	-206.782573
Nuclear repulsion energy	119.560732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3354	8.24
2	A'	3360	3230	2.19
3	A'	3126	3004	12.99
4	A'	3047	2928	5.47
5	A'	1722	1655	103.14
6	A'	1561	1501	31.11
7	A'	1470	1413	34.20
8	A'	1450	1394	19.88
9	A'	1262	1213	94.49
10	A'	1100	1057	114.64
11	A'	1008	969	130.16
12	A'	825	793	0.76
13	A'	537	516	40.77
14	A'	402	386	3.47
15	A"	3112	2991	7.41
16	A"	1554	1494	6.46
17	A"	1121	1077	10.21
18	A"	879	845	38.29
19	A"	624	600	163.20
20	A"	509	489	21.39
21	A"	106	102	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.142	0.000
C2	1.063	-0.948	0.000
N3	0.105	1.417	0.000
O4	-1.275	-0.438	0.000
H5	2.066	-0.505	0.000
H6	0.937	-1.579	0.889
H7	0.937	-1.579	-0.889
H8	1.076	1.764	0.000
H9	-1.923	0.319	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5218	1.2794	1.4006	2.1652	2.1514	2.1514	1.9469	1.9310
C2	1.5218		2.5511	2.3931	1.0966	1.0980	1.0980	2.7120	3.2433
N3	1.2794	2.5511		2.3114	2.7463	3.2337	3.2337	1.0313	2.3054
O4	1.4006	2.3931	2.3114		3.3423	2.6432	2.6432	3.2211	0.9961
H5	2.1652	1.0966	2.7463	3.3423		1.7943	1.7943	2.4765	4.0734
H6	2.1514	1.0980	3.2337	2.6432	1.7943		1.7788	3.4624	3.5455
H7	2.1514	1.0980	3.2337	2.6432	1.7943	1.7788		3.4624	3.5455
H8	1.9469	2.7120	1.0313	3.2211	2.4765	3.4624	3.4624		3.3284
H9	1.9310	3.2433	2.3054	0.9961	4.0734	3.5455	3.5455	3.3284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.512	C1	C2	H6	109.344
C1	C2	H7	109.344	C1	N3	H8	114.400
C1	O4	H9	106.123	C2	C1	N3	131.007
C2	C1	O4	109.874	N3	C1	O4	119.119
H5	C2	H6	109.698	H5	C2	H7	109.698
H6	C2	H7	108.206

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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