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	hartrees
Energy at 0K	-208.830663
Energy at 298.15K	-208.837084
HF Energy	-208.039330
Nuclear repulsion energy	122.099235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3649	64.90
2	A'	3592	3387	8.29
3	A'	3182	3001	9.71
4	A'	3080	2905	5.01
5	A'	1793	1691	235.77
6	A'	1514	1427	18.59
7	A'	1476	1392	69.54
8	A'	1415	1335	2.68
9	A'	1290	1217	91.49
10	A'	1134	1069	180.11
11	A'	1039	980	36.39
12	A'	892	841	0.91
13	A'	562	530	40.31
14	A'	429	404	1.90
15	A"	3155	2975	4.97
16	A"	1501	1416	7.84
17	A"	1087	1026	5.15
18	A"	875	825	27.59
19	A"	621	586	107.59
20	A"	527	497	33.49
21	A"	142	134	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.901	-1.066	0.000
N3	0.305	1.359	0.000
O4	-1.298	-0.232	0.000
H5	1.946	-0.768	0.000
H6	0.698	-1.677	0.879
H7	0.698	-1.677	-0.879
H8	1.310	1.481	0.000
H9	-1.812	0.581	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4999	1.2641	1.3482	2.1444	2.1292	2.1292	1.8803	1.8664
C2	1.4999		2.4979	2.3523	1.0867	1.0897	1.0897	2.5798	3.1740
N3	1.2641	2.4979		2.2587	2.6867	3.1851	3.1851	1.0128	2.2555
O4	1.3482	2.3523	2.2587		3.2882	2.6160	2.6160	3.1206	0.9615
H5	2.1444	1.0867	2.6867	3.2882		1.7771	1.7771	2.3368	3.9927
H6	2.1292	1.0897	3.1851	2.6160	1.7771		1.7588	3.3345	3.4881
H7	2.1292	1.0897	3.1851	2.6160	1.7771	1.7588		3.3345	3.4881
H8	1.8803	2.5798	1.0128	3.1206	2.3368	3.3345	3.3345		3.2495
H9	1.8664	3.1740	2.2555	0.9615	3.9927	3.4881	3.4881	3.2495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.996	C1	C2	H6	109.599
C1	C2	H7	109.599	C1	N3	H8	110.852
C1	O4	H9	106.621	C2	C1	N3	129.100
C2	C1	O4	111.254	N3	C1	O4	119.646
H5	C2	H6	109.483	H5	C2	H7	109.483
H6	C2	H7	107.615

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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