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	hartrees
Energy at 0K	-208.707895
Energy at 298.15K	-208.714253
HF Energy	-208.014547
Nuclear repulsion energy	121.591292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3860	48.42
2	A'	3566	3566	2.20
3	A'	3171	3171	14.17
4	A'	3074	3074	7.11
5	A'	1787	1787	199.61
6	A'	1513	1513	19.11
7	A'	1483	1483	57.40
8	A'	1414	1414	0.31
9	A'	1308	1308	96.16
10	A'	1142	1142	182.10
11	A'	1035	1035	34.41
12	A'	888	888	1.01
13	A'	557	557	43.15
14	A'	426	426	1.65
15	A"	3148	3148	8.75
16	A"	1496	1496	7.57
17	A"	1084	1084	5.13
18	A"	869	869	24.80
19	A"	608	608	121.13
20	A"	508	508	28.10
21	A"	122	122	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.910	-1.067	0.000
N3	0.296	1.370	0.000
O4	-1.301	-0.242	0.000
H5	1.959	-0.762	0.000
H6	0.706	-1.678	0.885
H7	0.706	-1.678	-0.885
H8	1.307	1.482	0.000
H9	-1.802	0.581	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5074	1.2710	1.3547	2.1546	2.1372	2.1372	1.8770	1.8563
C2	1.5074		2.5137	2.3606	1.0924	1.0946	1.0946	2.5797	3.1736
N3	1.2710	2.5137		2.2698	2.7044	3.2010	3.2010	1.0167	2.2414
O4	1.3547	2.3606	2.2698		3.3018	2.6223	2.6223	3.1263	0.9633
H5	2.1546	1.0924	2.7044	3.3018		1.7867	1.7867	2.3370	3.9936
H6	2.1372	1.0946	3.2010	2.6223	1.7867		1.7697	3.3363	3.4897
H7	2.1372	1.0946	3.2010	2.6223	1.7867	1.7697		3.3363	3.4897
H8	1.8770	2.5797	1.0167	3.1263	2.3370	3.3363	3.3363		3.2362
H9	1.8563	3.1736	2.2414	0.9633	3.9936	3.4897	3.4897	3.2362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.936	C1	C2	H6	109.420
C1	C2	H7	109.420	C1	N3	H8	109.766
C1	O4	H9	105.156	C2	C1	N3	129.379
C2	C1	O4	111.016	N3	C1	O4	119.604
H5	C2	H6	109.568	H5	C2	H7	109.568
H6	C2	H7	107.872

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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