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	hartrees
Energy at 0K	-208.630833
Energy at 298.15K	-208.637255
HF Energy	-207.967394
Nuclear repulsion energy	121.825792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3909	3909	49.75
2	A'	3638	3638	1.17
3	A'	3261	3261	12.74
4	A'	3156	3156	5.14
5	A'	1837	1837	197.54
6	A'	1556	1556	18.61
7	A'	1512	1512	69.54
8	A'	1448	1448	3.98
9	A'	1315	1315	96.66
10	A'	1157	1157	183.97
11	A'	1057	1057	36.48
12	A'	905	905	0.80
13	A'	562	562	42.84
14	A'	433	433	2.07
15	A"	3240	3240	6.92
16	A"	1540	1540	6.10
17	A"	1109	1109	7.66
18	A"	893	893	28.36
19	A"	630	630	145.67
20	A"	525	525	22.76
21	A"	135	135	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.932	-1.043	0.000
N3	0.265	1.374	0.000
O4	-1.293	-0.274	0.000
H5	1.967	-0.717	0.000
H6	0.745	-1.655	0.878
H7	0.745	-1.655	-0.878
H8	1.267	1.523	0.000
H9	-1.823	0.532	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5008	1.2688	1.3558	2.1430	2.1271	2.1271	1.8806	1.8660
C2	1.5008		2.5076	2.3546	1.0846	1.0868	1.0868	2.5879	3.1734
N3	1.2688	2.5076		2.2678	2.6967	3.1905	3.1905	1.0131	2.2513
O4	1.3558	2.3546	2.2678		3.2902	2.6138	2.6138	3.1277	0.9640
H5	2.1430	1.0846	2.6967	3.2902		1.7733	1.7733	2.3475	3.9904
H6	2.1271	1.0868	3.1905	2.6138	1.7733		1.7559	3.3387	3.4851
H7	2.1271	1.0868	3.1905	2.6138	1.7733	1.7559		3.3387	3.4851
H8	1.8806	2.5879	1.0131	3.1277	2.3475	3.3387	3.3387		3.2450
H9	1.8660	3.1734	2.2513	0.9640	3.9904	3.4851	3.4851	3.2450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.937	C1	C2	H6	109.534
C1	C2	H7	109.534	C1	N3	H8	110.502
C1	O4	H9	105.863	C2	C1	N3	129.559
C2	C1	O4	110.928	N3	C1	O4	119.513
H5	C2	H6	109.502	H5	C2	H7	109.502
H6	C2	H7	107.772

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

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

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