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	hartrees
Energy at 0K	-208.836426
Energy at 298.15K	-208.842851
HF Energy	-208.040769
Nuclear repulsion energy	122.186563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3877	3663	62.47
2	A'	3598	3399	5.50
3	A'	3198	3021	10.02
4	A'	3098	2927	4.66
5	A'	1808	1708	218.71
6	A'	1514	1430	27.31
7	A'	1484	1402	64.14
8	A'	1412	1334	0.18
9	A'	1301	1229	92.73
10	A'	1143	1080	187.63
11	A'	1037	979	31.41
12	A'	896	846	0.95
13	A'	562	531	41.91
14	A'	429	405	1.76
15	A"	3171	2995	5.02
16	A"	1497	1414	7.68
17	A"	1089	1029	6.56
18	A"	881	832	26.74
19	A"	627	592	105.63
20	A"	529	500	32.72
21	A"	136	129	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.898	-1.067	0.000
N3	0.311	1.357	0.000
O4	-1.300	-0.228	0.000
H5	1.941	-0.771	0.000
H6	0.693	-1.677	0.878
H7	0.693	-1.677	-0.878
H8	1.316	1.463	0.000
H9	-1.800	0.593	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4984	1.2635	1.3493	2.1410	2.1268	2.1268	1.8715	1.8579
C2	1.4984		2.4946	2.3530	1.0849	1.0878	1.0878	2.5649	3.1677
N3	1.2635	2.4946		2.2597	2.6808	3.1812	3.1812	1.0109	2.2444
O4	1.3493	2.3530	2.2597		3.2868	2.6161	2.6161	3.1150	0.9608
H5	2.1410	1.0849	2.6808	3.2868		1.7746	1.7746	2.3197	3.9820
H6	2.1268	1.0878	3.1812	2.6161	1.7746		1.7554	3.3191	3.4838
H7	2.1268	1.0878	3.1812	2.6161	1.7746	1.7554		3.3191	3.4838
H8	1.8715	2.5649	1.0109	3.1150	2.3197	3.3191	3.3191		3.2349
H9	1.8579	3.1677	2.2444	0.9608	3.9820	3.4838	3.4838	3.2349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.933	C1	C2	H6	109.617
C1	C2	H7	109.617	C1	N3	H8	110.250
C1	O4	H9	105.850	C2	C1	N3	128.968
C2	C1	O4	111.332	N3	C1	O4	119.700
H5	C2	H6	109.518	H5	C2	H7	109.518
H6	C2	H7	107.571

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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