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	hartrees
Energy at 0K	-208.720634
Energy at 298.15K	-208.726952
HF Energy	-207.990773
Nuclear repulsion energy	120.427877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3723	3631
2	A'	3492	3405
3	A'	3154	3076
4	A'	3047	2971
5	A'	1702	1660
6	A'	1469	1433
7	A'	1427	1391
8	A'	1369	1335
9	A'	1257	1226
10	A'	1104	1076
11	A'	1003	978
12	A'	863	841
13	A'	539	526
14	A'	415	404
15	A"	3129	3051
16	A"	1458	1421
17	A"	1048	1022
18	A"	836	815
19	A"	604	589
20	A"	517	504
21	A"	131	127

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.962	-1.034	0.000
N3	0.237	1.398	0.000
O4	-1.301	-0.304	0.000
H5	2.003	-0.678	0.000
H6	0.786	-1.660	0.891
H7	0.786	-1.660	-0.891
H8	1.249	1.562	0.000
H9	-1.846	0.503	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5110	1.2890	1.3719	2.1607	2.1490	2.1490	1.8996	1.8836
C2	1.5110		2.5378	2.3786	1.1004	1.1032	1.1032	2.6119	3.2018
N3	1.2890	2.5378		2.2938	2.7259	3.2318	3.2318	1.0253	2.2676
O4	1.3719	2.3786	2.2938		3.3260	2.6438	2.6438	3.1599	0.9735
H5	2.1607	1.1004	2.7259	3.3260		1.8003	1.8003	2.3637	4.0271
H6	2.1490	1.1032	3.2318	2.6438	1.8003		1.7828	3.3747	3.5214
H7	2.1490	1.1032	3.2318	2.6438	1.8003	1.7828		3.3747	3.5214
H8	1.8996	2.6119	1.0253	3.1599	2.3637	3.3747	3.3747		3.2717
H9	1.8836	3.2018	2.2676	0.9735	4.0271	3.5214	3.5214	3.2717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.685	C1	C2	H6	109.589
C1	C2	H7	109.589	C1	N3	H8	109.806
C1	O4	H9	105.598	C2	C1	N3	129.845
C2	C1	O4	111.097	N3	C1	O4	119.058
H5	C2	H6	109.563	H5	C2	H7	109.563
H6	C2	H7	107.801

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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