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	hartrees
Energy at 0K	-208.709095
Energy at 298.15K	-208.715466
HF Energy	-207.999002
Nuclear repulsion energy	121.695394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3576	43.98
2	A'	3581	3392	3.93
3	A'	3208	3038	10.58
4	A'	3099	2935	5.38
5	A'	1760	1667	181.19
6	A'	1524	1444	25.51
7	A'	1481	1402	70.01
8	A'	1419	1344	0.09
9	A'	1303	1234	110.91
10	A'	1134	1074	192.53
11	A'	1039	984	34.46
12	A'	892	845	1.06
13	A'	558	529	45.17
14	A'	430	408	2.40
15	A"	3185	3017	5.13
16	A"	1511	1431	11.64
17	A"	1089	1031	7.19
18	A"	865	819	24.74
19	A"	644	610	169.56
20	A"	525	497	13.95
21	A"	115	109	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.939	-1.037	0.000
N3	0.249	1.382	0.000
O4	-1.287	-0.286	0.000
H5	1.978	-0.709	0.000
H6	0.755	-1.656	0.880
H7	0.755	-1.656	-0.880
H8	1.250	1.550	0.000
H9	-1.824	0.518	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4998	1.2744	1.3529	2.1496	2.1308	2.1308	1.8902	1.8643
C2	1.4998		2.5155	2.3497	1.0893	1.0915	1.0915	2.6057	3.1710
N3	1.2744	2.5155		2.2670	2.7133	3.2026	3.2026	1.0148	2.2456
O4	1.3529	2.3497	2.2670		3.2924	2.6116	2.6116	3.1312	0.9668
H5	2.1496	1.0893	2.7133	3.2924		1.7797	1.7797	2.3736	3.9953
H6	2.1308	1.0915	3.2026	2.6116	1.7797		1.7604	3.3610	3.4858
H7	2.1308	1.0915	3.2026	2.6116	1.7797	1.7604		3.3610	3.4858
H8	1.8902	2.6057	1.0148	3.1312	2.3736	3.3610	3.3610		3.2422
H9	1.8643	3.1710	2.2456	0.9668	3.9953	3.4858	3.4858	3.2422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.262	C1	C2	H6	109.623
C1	C2	H7	109.623	C1	N3	H8	110.812
C1	O4	H9	105.762	C2	C1	N3	129.942
C2	C1	O4	110.809	N3	C1	O4	119.249
H5	C2	H6	109.381	H5	C2	H7	109.381
H6	C2	H7	107.491

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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