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	hartrees
Energy at 0K	-208.921693
Energy at 298.15K	-208.928112
HF Energy	-208.050071
Nuclear repulsion energy	122.381984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3880	3880	65.81
2	A'	3605	3605	7.01
3	A'	3200	3200	9.26
4	A'	3100	3100	4.25
5	A'	1806	1806	227.25
6	A'	1513	1513	26.41
7	A'	1484	1484	65.18
8	A'	1417	1417	0.30
9	A'	1301	1301	92.76
10	A'	1142	1142	188.27
11	A'	1038	1038	33.74
12	A'	898	898	0.93
13	A'	563	563	42.22
14	A'	431	431	1.61
15	A"	3172	3172	4.21
16	A"	1500	1500	8.14
17	A"	1092	1092	6.16
18	A"	882	882	27.92
19	A"	627	627	106.68
20	A"	531	531	34.35
21	A"	137	137	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.894	-1.068	0.000
N3	0.314	1.353	0.000
O4	-1.299	-0.224	0.000
H5	1.936	-0.771	0.000
H6	0.689	-1.675	0.876
H7	0.689	-1.675	-0.876
H8	1.318	1.460	0.000
H9	-1.801	0.594	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4963	1.2608	1.3472	2.1361	2.1229	2.1229	1.8710	1.8592
C2	1.4963		2.4892	2.3503	1.0828	1.0856	1.0856	2.5633	3.1662
N3	1.2608	2.4892		2.2561	2.6724	3.1742	3.1742	1.0091	2.2474
O4	1.3472	2.3503	2.2561		3.2811	2.6126	2.6126	3.1121	0.9592
H5	2.1361	1.0828	2.6724	3.2811		1.7717	1.7717	2.3157	3.9782
H6	2.1229	1.0856	3.1742	2.6126	1.7717		1.7526	3.3155	3.4804
H7	2.1229	1.0856	3.1742	2.6126	1.7717	1.7526		3.3155	3.4804
H8	1.8710	2.5633	1.0091	3.1121	2.3157	3.3155	3.3155		3.2368
H9	1.8592	3.1662	2.2474	0.9592	3.9782	3.4804	3.4804	3.2368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.812	C1	C2	H6	109.584
C1	C2	H7	109.584	C1	N3	H8	110.542
C1	O4	H9	106.219	C2	C1	N3	128.868
C2	C1	O4	111.385	N3	C1	O4	119.748
H5	C2	H6	109.578	H5	C2	H7	109.578
H6	C2	H7	107.646

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

using model chemistry: MP3=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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