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	hartrees
Energy at 0K	-208.270720
Energy at 298.15K	-208.277057
HF Energy	-207.851544
Nuclear repulsion energy	119.411118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3440	30.30
2	A'	3474	3324	4.39
3	A'	3176	3039	14.01
4	A'	3079	2946	6.79
5	A'	1704	1631	115.65
6	A'	1563	1496	30.17
7	A'	1488	1424	28.97
8	A'	1441	1379	23.37
9	A'	1252	1198	88.87
10	A'	1107	1059	106.50
11	A'	1029	985	152.10
12	A'	859	822	5.69
13	A'	543	519	43.61
14	A'	425	406	3.97
15	A"	3168	3031	7.19
16	A"	1547	1480	8.04
17	A"	1125	1076	7.46
18	A"	873	836	44.56
19	A"	626	599	207.07
20	A"	524	501	14.96
21	A"	118	113	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	1.081	-0.923	0.000
N3	0.076	1.425	0.000
O4	-1.269	-0.462	0.000
H5	2.072	-0.454	0.000
H6	0.981	-1.560	0.887
H7	0.981	-1.560	-0.887
H8	1.037	1.787	0.000
H9	-1.945	0.255	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5105	1.2954	1.4006	2.1537	2.1478	2.1478	1.9536	1.9486
C2	1.5105		2.5538	2.3951	1.0964	1.0972	1.0972	2.7106	3.2472
N3	1.2954	2.5538		2.3169	2.7413	3.2431	3.2431	1.0266	2.3352
O4	1.4006	2.3951	2.3169		3.3413	2.6566	2.6566	3.2209	0.9849
H5	2.1537	1.0964	2.7413	3.3413		1.7895	1.7895	2.4691	4.0792
H6	2.1478	1.0972	3.2431	2.6566	1.7895		1.7749	3.4638	3.5558
H7	2.1478	1.0972	3.2431	2.6566	1.7895	1.7749		3.4638	3.5558
H8	1.9536	2.7106	1.0266	3.2209	2.4691	3.4638	3.4638		3.3523
H9	1.9486	3.2472	2.3352	0.9849	4.0792	3.5558	3.5558	3.3523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.403	C1	C2	H6	109.888
C1	C2	H7	109.888	C1	N3	H8	114.061
C1	O4	H9	108.271	C2	C1	N3	130.897
C2	C1	O4	110.665	N3	C1	O4	118.437
H5	C2	H6	109.330	H5	C2	H7	109.330
H6	C2	H7	107.958

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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