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	hartrees
Energy at 0K	-208.634232
Energy at 298.15K	-208.640597
HF Energy	-207.998827
Nuclear repulsion energy	121.593882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3586	43.53
2	A'	3577	3400	3.78
3	A'	3204	3045	10.84
4	A'	3096	2942	5.52
5	A'	1756	1668	180.25
6	A'	1524	1448	25.65
7	A'	1479	1405	68.69
8	A'	1418	1348	0.12
9	A'	1302	1238	109.76
10	A'	1133	1077	192.03
11	A'	1038	986	35.64
12	A'	890	845	1.05
13	A'	557	529	44.96
14	A'	429	408	2.40
15	A"	3182	3024	5.34
16	A"	1510	1435	11.47
17	A"	1088	1034	6.93
18	A"	864	821	24.84
19	A"	642	610	169.59
20	A"	523	497	13.48
21	A"	115	109	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.941	-1.038	0.000
N3	0.249	1.383	0.000
O4	-1.288	-0.286	0.000
H5	1.980	-0.709	0.000
H6	0.756	-1.657	0.881
H7	0.756	-1.657	-0.881
H8	1.250	1.551	0.000
H9	-1.825	0.518	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5016	1.2755	1.3541	2.1511	2.1326	2.1326	1.8907	1.8652
C2	1.5016		2.5184	2.3521	1.0898	1.0920	1.0920	2.6074	3.1734
N3	1.2755	2.5184		2.2689	2.7157	3.2055	3.2055	1.0152	2.2467
O4	1.3541	2.3521	2.2689		3.2948	2.6139	2.6139	3.1329	0.9670
H5	2.1511	1.0898	2.7157	3.2948		1.7806	1.7806	2.3749	3.9975
H6	2.1326	1.0920	3.2055	2.6139	1.7806		1.7614	3.3627	3.4882
H7	2.1326	1.0920	3.2055	2.6139	1.7806	1.7614		3.3627	3.4882
H8	1.8907	2.6074	1.0152	3.1329	2.3749	3.3627	3.3627		3.2435
H9	1.8652	3.1734	2.2467	0.9670	3.9975	3.4882	3.4882	3.2435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.222	C1	C2	H6	109.613
C1	C2	H7	109.613	C1	N3	H8	110.739
C1	O4	H9	105.729	C2	C1	N3	129.966
C2	C1	O4	110.793	N3	C1	O4	119.240
H5	C2	H6	109.399	H5	C2	H7	109.399
H6	C2	H7	107.518

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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