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	hartrees
Energy at 0K	-208.900553
Energy at 298.15K	-208.906928
HF Energy	-208.048982
Nuclear repulsion energy	122.084180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3770	3770	66.37
2	A'	3567	3567	8.52
3	A'	3207	3207	6.62
4	A'	3097	3097	3.99
5	A'	1741	1741	187.78
6	A'	1500	1500	22.01
7	A'	1457	1457	69.32
8	A'	1396	1396	1.49
9	A'	1259	1259	88.19
10	A'	1112	1112	179.82
11	A'	1024	1024	39.51
12	A'	888	888	0.93
13	A'	552	552	41.67
14	A'	425	425	1.62
15	A"	3180	3180	2.48
16	A"	1492	1492	8.84
17	A"	1077	1077	4.73
18	A"	858	858	24.91
19	A"	629	629	117.83
20	A"	529	529	20.55
21	A"	132	132	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.923	-1.044	0.000
N3	0.274	1.370	0.000
O4	-1.293	-0.266	0.000
H5	1.957	-0.721	0.000
H6	0.733	-1.656	0.876
H7	0.733	-1.656	-0.876
H8	1.277	1.505	0.000
H9	-1.811	0.551	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4930	1.2695	1.3520	2.1334	2.1201	2.1201	1.8771	1.8590
C2	1.4930		2.4991	2.3482	1.0830	1.0858	1.0858	2.5736	3.1646
N3	1.2695	2.4991		2.2647	2.6835	3.1833	3.1833	1.0128	2.2396
O4	1.3520	2.3482	2.2647		3.2810	2.6087	2.6087	3.1214	0.9669
H5	2.1334	1.0830	2.6835	3.2810		1.7719	1.7719	2.3274	3.9760
H6	2.1201	1.0858	3.1833	2.6087	1.7719		1.7528	3.3254	3.4797
H7	2.1201	1.0858	3.1833	2.6087	1.7719	1.7528		3.3254	3.4797
H8	1.8771	2.5736	1.0128	3.1214	2.3274	3.3254	3.3254		3.2324
H9	1.8590	3.1646	2.2396	0.9669	3.9760	3.4797	3.4797	3.2324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.822	C1	C2	H6	109.589
C1	C2	H7	109.589	C1	N3	H8	110.156
C1	O4	H9	105.370	C2	C1	N3	129.371
C2	C1	O4	111.157	N3	C1	O4	119.472
H5	C2	H6	109.569	H5	C2	H7	109.569
H6	C2	H7	107.643

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

using model chemistry: MP2=FULL/Def2TZVPP

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: MP2=FULL/Def2TZVPP

States and conformations

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