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	hartrees
Energy at 0K	-208.910345
Energy at 298.15K	-208.916740
HF Energy	-208.044268
Nuclear repulsion energy	122.235952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3766	65.87
2	A'	3570	3570	10.16
3	A'	3198	3198	6.02
4	A'	3101	3101	3.82
5	A'	1744	1744	204.24
6	A'	1509	1509	21.41
7	A'	1455	1455	69.17
8	A'	1399	1399	4.88
9	A'	1259	1259	88.63
10	A'	1111	1111	170.89
11	A'	1031	1031	44.86
12	A'	892	892	1.01
13	A'	552	552	40.80
14	A'	428	428	1.62
15	A"	3173	3173	2.14
16	A"	1503	1503	8.72
17	A"	1083	1083	3.94
18	A"	859	859	26.24
19	A"	635	635	110.55
20	A"	534	534	21.91
21	A"	139	139	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.129	0.000
C2	0.932	-1.033	0.000
N3	0.257	1.371	0.000
O4	-1.286	-0.280	0.000
H5	1.963	-0.700	0.000
H6	0.747	-1.647	0.877
H7	0.747	-1.647	-0.877
H8	1.258	1.527	0.000
H9	-1.817	0.528	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4894	1.2684	1.3495	2.1309	2.1170	2.1170	1.8801	1.8603
C2	1.4894		2.4970	2.3416	1.0835	1.0864	1.0864	2.5803	3.1609
N3	1.2684	2.4970		2.2602	2.6835	3.1809	3.1809	1.0126	2.2391
O4	1.3495	2.3416	2.2602		3.2757	2.6017	2.6017	3.1201	0.9673
H5	2.1309	1.0835	2.6835	3.2757		1.7728	1.7728	2.3361	3.9745
H6	2.1170	1.0864	3.1809	2.6017	1.7728		1.7543	3.3319	3.4748
H7	2.1170	1.0864	3.1809	2.6017	1.7728	1.7543		3.3319	3.4748
H8	1.8801	2.5803	1.0126	3.1201	2.3361	3.3319	3.3319		3.2329
H9	1.8603	3.1609	2.2391	0.9673	3.9745	3.4748	3.4748	3.2329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.848	C1	C2	H6	109.552
C1	C2	H7	109.552	C1	N3	H8	110.527
C1	O4	H9	105.645	C2	C1	N3	129.588
C2	C1	O4	111.049	N3	C1	O4	119.362
H5	C2	H6	109.576	H5	C2	H7	109.576
H6	C2	H7	107.679

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

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

States and conformations

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