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	hartrees
Energy at 0K	-208.611611
Energy at 298.15K	-208.617962
HF Energy	-207.974372
Nuclear repulsion energy	121.174456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3768	3581	57.02
2	A'	3546	3370	2.22
3	A'	3227	3067	8.65
4	A'	3106	2952	6.31
5	A'	1765	1678	165.82
6	A'	1489	1416	26.32
7	A'	1465	1392	62.93
8	A'	1383	1314	0.12
9	A'	1274	1211	96.66
10	A'	1123	1067	174.55
11	A'	1014	964	24.94
12	A'	891	846	1.24
13	A'	546	519	42.08
14	A'	420	399	1.82
15	A"	3202	3043	4.32
16	A"	1473	1400	8.14
17	A"	1065	1012	6.35
18	A"	856	814	20.16
19	A"	633	601	126.87
20	A"	520	495	14.86
21	A"	123	117	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.922	-1.057	0.000
N3	0.278	1.383	0.000
O4	-1.300	-0.262	0.000
H5	1.974	-0.745	0.000
H6	0.724	-1.678	0.887
H7	0.724	-1.678	-0.887
H8	1.296	1.499	0.000
H9	-1.800	0.573	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5045	1.2819	1.3579	2.1604	2.1416	2.1416	1.8841	1.8536
C2	1.5045		2.5237	2.3594	1.0979	1.1007	1.1007	2.5836	3.1728
N3	1.2819	2.5237		2.2795	2.7215	3.2182	3.2182	1.0246	2.2312
O4	1.3579	2.3594	2.2795		3.3094	2.6241	2.6241	3.1369	0.9734
H5	2.1604	1.0979	2.7215	3.3094		1.7947	1.7947	2.3445	3.9983
H6	2.1416	1.1007	3.2182	2.6241	1.7947		1.7739	3.3481	3.4963
H7	2.1416	1.1007	3.2182	2.6241	1.7947	1.7739		3.3481	3.4963
H8	1.8841	2.5836	1.0246	3.1369	2.3445	3.3481	3.3481		3.2324
H9	1.8536	3.1728	2.2312	0.9734	3.9983	3.4963	3.4963	3.2324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.273	C1	C2	H6	109.613
C1	C2	H7	109.613	C1	N3	H8	109.039
C1	O4	H9	104.112	C2	C1	N3	129.677
C2	C1	O4	110.925	N3	C1	O4	119.398
H5	C2	H6	109.440	H5	C2	H7	109.440
H6	C2	H7	107.379

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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