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	hartrees
Energy at 0K	-208.840606
Energy at 298.15K	-208.847016
HF Energy	-208.040337
Nuclear repulsion energy	121.987020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3605	57.25
2	A'	3567	3357	4.40
3	A'	3174	2987	11.10
4	A'	3077	2896	5.68
5	A'	1784	1679	211.79
6	A'	1511	1422	23.85
7	A'	1478	1391	61.85
8	A'	1411	1328	0.46
9	A'	1292	1216	87.55
10	A'	1136	1070	184.33
11	A'	1035	974	34.34
12	A'	889	837	0.79
13	A'	558	525	40.86
14	A'	427	402	1.74
15	A"	3147	2962	6.09
16	A"	1496	1408	7.38
17	A"	1087	1023	5.78
18	A"	873	822	26.67
19	A"	626	589	107.43
20	A"	527	496	29.42
21	A"	135	127	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.907	-1.061	0.000
N3	0.298	1.363	0.000
O4	-1.299	-0.241	0.000
H5	1.950	-0.756	0.000
H6	0.708	-1.672	0.879
H7	0.708	-1.672	-0.879
H8	1.304	1.480	0.000
H9	-1.806	0.579	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4993	1.2666	1.3520	2.1431	2.1285	2.1285	1.8751	1.8603
C2	1.4993		2.4998	2.3543	1.0865	1.0893	1.0893	2.5715	3.1704
N3	1.2666	2.4998		2.2641	2.6873	3.1869	3.1869	1.0128	2.2457
O4	1.3520	2.3543	2.2641		3.2902	2.6172	2.6172	3.1208	0.9636
H5	2.1431	1.0865	2.6873	3.2902		1.7767	1.7767	2.3272	3.9864
H6	2.1285	1.0893	3.1869	2.6172	1.7767		1.7583	3.3262	3.4869
H7	2.1285	1.0893	3.1869	2.6172	1.7767	1.7583		3.3262	3.4869
H8	1.8751	2.5715	1.0128	3.1208	2.3272	3.3262	3.3262		3.2381
H9	1.8603	3.1704	2.2457	0.9636	3.9864	3.4869	3.4869	3.2381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.946	C1	C2	H6	109.612
C1	C2	H7	109.612	C1	N3	H8	110.205
C1	O4	H9	105.686	C2	C1	N3	129.139
C2	C1	O4	111.216	N3	C1	O4	119.645
H5	C2	H6	109.490	H5	C2	H7	109.490
H6	C2	H7	107.627

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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