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	hartrees
Energy at 0K	-208.636299
Energy at 298.15K	-208.642650
HF Energy	-207.974455
Nuclear repulsion energy	121.009833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3641	48.55
2	A'	3528	3385	0.63
3	A'	3183	3054	12.78
4	A'	3077	2952	8.27
5	A'	1785	1713	193.09
6	A'	1494	1434	33.79
7	A'	1470	1411	45.42
8	A'	1393	1336	0.77
9	A'	1296	1244	91.41
10	A'	1137	1091	177.34
11	A'	1018	977	25.38
12	A'	887	851	1.06
13	A'	548	526	40.86
14	A'	419	402	1.72
15	A"	3159	3031	7.86
16	A"	1472	1413	6.76
17	A"	1069	1026	6.03
18	A"	863	828	21.81
19	A"	623	598	120.77
20	A"	516	495	19.73
21	A"	124	119	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.913	-1.070	0.000
N3	0.295	1.378	0.000
O4	-1.306	-0.245	0.000
H5	1.972	-0.766	0.000
H6	0.708	-1.689	0.890
H7	0.708	-1.689	-0.890
H8	1.315	1.486	0.000
H9	-1.804	0.589	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5108	1.2791	1.3596	2.1674	2.1492	2.1492	1.8861	1.8603
C2	1.5108		2.5249	2.3671	1.1012	1.1039	1.1039	2.5868	3.1832
N3	1.2791	2.5249		2.2803	2.7220	3.2211	3.2211	1.0256	2.2428
O4	1.3596	2.3671	2.2803		3.3185	2.6334	2.6334	3.1409	0.9714
H5	2.1674	1.1012	2.7220	3.3185		1.8004	1.8004	2.3454	4.0113
H6	2.1492	1.1039	3.2211	2.6334	1.8004		1.7807	3.3529	3.5063
H7	2.1492	1.1039	3.2211	2.6334	1.8004	1.7807		3.3529	3.5063
H8	1.8861	2.5868	1.0256	3.1409	2.3454	3.3529	3.3529		3.2456
H9	1.8603	3.1832	2.2428	0.9714	4.0113	3.5063	3.5063	3.2456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.183	C1	C2	H6	109.578
C1	C2	H7	109.578	C1	N3	H8	109.344
C1	O4	H9	104.662	C2	C1	N3	129.465
C2	C1	O4	110.998	N3	C1	O4	119.537
H5	C2	H6	109.456	H5	C2	H7	109.456
H6	C2	H7	107.513

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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