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	hartrees
Energy at 0K	-208.905786
Energy at 298.15K	-208.912200
HF Energy	-208.043937
Nuclear repulsion energy	122.245295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3586	66.21
2	A'	3572	3399	10.06
3	A'	3197	3041	6.10
4	A'	3099	2948	3.86
5	A'	1744	1659	204.65
6	A'	1511	1437	21.53
7	A'	1455	1384	70.66
8	A'	1398	1330	4.03
9	A'	1257	1196	87.75
10	A'	1110	1056	169.88
11	A'	1030	980	46.37
12	A'	892	849	1.03
13	A'	551	525	40.51
14	A'	430	409	1.70
15	A"	3174	3019	2.17
16	A"	1506	1432	8.68
17	A"	1082	1029	3.91
18	A"	859	818	25.47
19	A"	627	597	108.83
20	A"	533	507	24.96
21	A"	142	135	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.129	0.000
C2	0.928	-1.034	0.000
N3	0.262	1.370	0.000
O4	-1.287	-0.277	0.000
H5	1.961	-0.705	0.000
H6	0.744	-1.648	0.877
H7	0.744	-1.648	-0.877
H8	1.263	1.522	0.000
H9	-1.817	0.532	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4883	1.2689	1.3494	2.1305	2.1166	2.1166	1.8798	1.8616
C2	1.4883		2.4956	2.3413	1.0837	1.0864	1.0864	2.5776	3.1611
N3	1.2689	2.4956		2.2609	2.6819	3.1800	3.1800	1.0123	2.2417
O4	1.3494	2.3413	2.2609		3.2757	2.6027	2.6027	3.1199	0.9672
H5	2.1305	1.0837	2.6819	3.2757		1.7721	1.7721	2.3330	3.9753
H6	2.1166	1.0864	3.1800	2.6027	1.7721		1.7549	3.3292	3.4758
H7	2.1166	1.0864	3.1800	2.6027	1.7721	1.7549		3.3292	3.4758
H8	1.8798	2.5776	1.0123	3.1199	2.3330	3.3292	3.3292		3.2350
H9	1.8616	3.1611	2.2417	0.9672	3.9753	3.4758	3.4758	3.2350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.878	C1	C2	H6	109.595
C1	C2	H7	109.595	C1	N3	H8	110.478
C1	O4	H9	105.763	C2	C1	N3	129.507
C2	C1	O4	111.099	N3	C1	O4	119.395
H5	C2	H6	109.489	H5	C2	H7	109.489
H6	C2	H7	107.734

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

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