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	hartrees
Energy at 0K	-209.011884
Energy at 298.15K
HF Energy	-208.796603
Nuclear repulsion energy	121.421388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3778	55.61
2	A'	3572	3572	5.61
3	A'	3196	3196	11.04
4	A'	3095	3095	6.79
5	A'	1740	1740	243.83
6	A'	1512	1512	23.31
7	A'	1457	1457	62.12
8	A'	1406	1406	11.03
9	A'	1263	1263	81.44
10	A'	1115	1115	176.83
11	A'	1032	1032	53.11
12	A'	881	881	1.01
13	A'	551	551	42.57
14	A'	428	428	2.04
15	A"	3171	3171	4.97
16	A"	1500	1500	9.60
17	A"	1079	1079	4.30
18	A"	844	844	30.51
19	A"	620	620	142.87
20	A"	523	523	23.00
21	A"	129	129	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.942	-1.039	0.000
N3	0.253	1.381	0.000
O4	-1.293	-0.284	0.000
H5	1.978	-0.703	0.000
H6	0.762	-1.657	0.881
H7	0.762	-1.657	-0.881
H8	1.255	1.552	0.000
H9	-1.839	0.519	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5019	1.2757	1.3584	2.1466	2.1337	2.1337	1.8964	1.8798
C2	1.5019		2.5158	2.3597	1.0884	1.0911	1.0911	2.6096	3.1880
N3	1.2757	2.5158		2.2729	2.7053	3.2038	3.2038	1.0163	2.2636
O4	1.3584	2.3597	2.2729		3.2981	2.6241	2.6241	3.1414	0.9708
H5	2.1466	1.0884	2.7053	3.2981		1.7784	1.7784	2.3685	4.0081
H6	2.1337	1.0911	3.2038	2.6241	1.7784		1.7613	3.3642	3.5039
H7	2.1337	1.0911	3.2038	2.6241	1.7784	1.7613		3.3642	3.5039
H8	1.8964	2.6096	1.0163	3.1414	2.3685	3.3642	3.3642		3.2627
H9	1.8798	3.1880	2.2636	0.9708	4.0081	3.5039	3.5039	3.2627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.927	C1	C2	H6	109.735
C1	C2	H7	109.735	C1	N3	H8	111.154
C1	O4	H9	106.430	C2	C1	N3	129.672
C2	C1	O4	111.079	N3	C1	O4	119.248
H5	C2	H6	109.372	H5	C2	H7	109.372
H6	C2	H7	107.636

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

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

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=FULLultrafine/6-31+G**

States and conformations

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