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	hartrees
Energy at 0K	-208.715830
Energy at 298.15K	-208.722185
HF Energy	-208.033027
Nuclear repulsion energy	121.996034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3886	3634	54.49
2	A'	3603	3370	4.81
3	A'	3209	3001	12.70
4	A'	3111	2909	6.08
5	A'	1805	1688	217.72
6	A'	1522	1423	17.28
7	A'	1488	1391	59.92
8	A'	1428	1336	0.78
9	A'	1313	1228	90.82
10	A'	1146	1072	179.63
11	A'	1046	978	46.31
12	A'	894	836	1.16
13	A'	566	529	43.24
14	A'	434	406	1.97
15	A"	3186	2980	6.68
16	A"	1496	1399	7.83
17	A"	1090	1020	3.87
18	A"	872	815	30.66
19	A"	584	547	122.74
20	A"	502	470	33.97
21	A"	120	112	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.912	-1.058	0.000
N3	0.293	1.363	0.000
O4	-1.299	-0.245	0.000
H5	1.953	-0.746	0.000
H6	0.716	-1.668	0.881
H7	0.716	-1.668	-0.881
H8	1.299	1.481	0.000
H9	-1.814	0.569	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5008	1.2639	1.3531	2.1417	2.1297	2.1297	1.8713	1.8654
C2	1.5008		2.4993	2.3563	1.0868	1.0891	1.0891	2.5683	3.1747
N3	1.2639	2.4993		2.2626	2.6837	3.1850	3.1850	1.0127	2.2515
O4	1.3531	2.3563	2.2626		3.2905	2.6201	2.6201	3.1187	0.9626
H5	2.1417	1.0868	2.6837	3.2905		1.7765	1.7765	2.3205	3.9895
H6	2.1297	1.0891	3.1850	2.6201	1.7765		1.7614	3.3214	3.4904
H7	2.1297	1.0891	3.1850	2.6201	1.7765	1.7614		3.3214	3.4904
H8	1.8713	2.5683	1.0127	3.1187	2.3205	3.3214	3.3214		3.2434
H9	1.8654	3.1747	2.2515	0.9626	3.9895	3.4904	3.4904	3.2434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.703	C1	C2	H6	109.608
C1	C2	H7	109.608	C1	N3	H8	110.075
C1	O4	H9	106.095	C2	C1	N3	129.173
C2	C1	O4	111.199	N3	C1	O4	119.628
H5	C2	H6	109.469	H5	C2	H7	109.469
H6	C2	H7	107.934

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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