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	hartrees
Energy at 0K	-208.685536
Energy at 298.15K	-208.691929
HF Energy	-207.992990
Nuclear repulsion energy	121.110539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3843	59.23
2	A'	3567	3567	6.24
3	A'	3190	3190	11.38
4	A'	3085	3085	5.74
5	A'	1785	1785	225.56
6	A'	1488	1488	22.45
7	A'	1460	1460	59.15
8	A'	1391	1391	0.23
9	A'	1297	1297	89.73
10	A'	1134	1134	180.59
11	A'	1021	1021	34.14
12	A'	888	888	1.34
13	A'	555	555	38.97
14	A'	425	425	2.11
15	A"	3163	3163	5.96
16	A"	1471	1471	7.27
17	A"	1068	1068	4.22
18	A"	865	865	28.52
19	A"	610	610	107.41
20	A"	528	528	28.18
21	A"	137	137	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.927	-1.057	0.000
N3	0.281	1.378	0.000
O4	-1.304	-0.259	0.000
H5	1.976	-0.734	0.000
H6	0.732	-1.676	0.889
H7	0.732	-1.676	-0.889
H8	1.292	1.512	0.000
H9	-1.831	0.551	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5082	1.2768	1.3615	2.1572	2.1435	2.1435	1.8904	1.8782
C2	1.5082		2.5191	2.3701	1.0972	1.1003	1.1003	2.5950	3.1929
N3	1.2768	2.5191		2.2784	2.7073	3.2120	3.2120	1.0198	2.2681
O4	1.3615	2.3701	2.2784		3.3142	2.6352	2.6352	3.1427	0.9660
H5	2.1572	1.0972	2.7073	3.3142		1.7956	1.7956	2.3475	4.0177
H6	2.1435	1.1003	3.2120	2.6352	1.7956		1.7772	3.3565	3.5097
H7	2.1435	1.1003	3.2120	2.6352	1.7956	1.7772		3.3565	3.5097
H8	1.8904	2.5950	1.0198	3.1427	2.3475	3.3565	3.3565		3.2675
H9	1.8782	3.1929	2.2681	0.9660	4.0177	3.5097	3.5097	3.2675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.799	C1	C2	H6	109.532
C1	C2	H7	109.532	C1	N3	H8	110.294
C1	O4	H9	106.357	C2	C1	N3	129.334
C2	C1	O4	111.260	N3	C1	O4	119.406
H5	C2	H6	109.596	H5	C2	H7	109.596
H6	C2	H7	107.729

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

using model chemistry: MP3=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: MP3=FULL/aug-cc-pVDZ

States and conformations

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