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	hartrees
Energy at 0K	-208.676954
Energy at 298.15K	-208.683336
HF Energy	-207.992490
Nuclear repulsion energy	120.910519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3680	57.00
2	A'	3542	3416	6.03
3	A'	3169	3057	11.89
4	A'	3065	2956	6.55
5	A'	1776	1713	217.21
6	A'	1485	1432	19.07
7	A'	1455	1403	58.49
8	A'	1389	1340	0.49
9	A'	1291	1245	86.80
10	A'	1128	1088	179.08
11	A'	1020	984	36.19
12	A'	882	851	1.61
13	A'	552	533	38.02
14	A'	424	408	2.13
15	A"	3143	3031	6.64
16	A"	1469	1417	6.96
17	A"	1068	1030	3.83
18	A"	864	833	29.02
19	A"	605	584	105.90
20	A"	525	507	28.41
21	A"	137	132	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.936	-1.052	0.000
N3	0.271	1.382	0.000
O4	-1.304	-0.269	0.000
H5	1.984	-0.722	0.000
H6	0.744	-1.673	0.891
H7	0.744	-1.673	-0.891
H8	1.284	1.524	0.000
H9	-1.838	0.538	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5102	1.2783	1.3647	2.1607	2.1470	2.1470	1.8923	1.8825
C2	1.5102		2.5235	2.3726	1.0993	1.1024	1.1024	2.5992	3.1976
N3	1.2783	2.5235		2.2824	2.7133	3.2175	3.2175	1.0220	2.2725
O4	1.3647	2.3726	2.2824		3.3192	2.6381	2.6381	3.1480	0.9681
H5	2.1607	1.0993	2.7133	3.3192		1.7987	1.7987	2.3523	4.0249
H6	2.1470	1.1024	3.2175	2.6381	1.7987		1.7810	3.3620	3.5146
H7	2.1470	1.1024	3.2175	2.6381	1.7987	1.7810		3.3620	3.5146
H8	1.8923	2.5992	1.0220	3.1480	2.3523	3.3620	3.3620		3.2739
H9	1.8825	3.1976	2.2725	0.9681	4.0249	3.5146	3.5146	3.2739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.803	C1	C2	H6	109.546
C1	C2	H7	109.546	C1	N3	H8	110.205
C1	O4	H9	106.356	C2	C1	N3	129.457
C2	C1	O4	111.136	N3	C1	O4	119.407
H5	C2	H6	109.561	H5	C2	H7	109.561
H6	C2	H7	107.768

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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