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	hartrees
Energy at 0K	-208.719518
Energy at 298.15K	-208.725847
HF Energy	-207.991111
Nuclear repulsion energy	120.499553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3738	3626
2	A'	3493	3388
3	A'	3147	3053
4	A'	3042	2951
5	A'	1717	1666
6	A'	1470	1426
7	A'	1433	1390
8	A'	1372	1331
9	A'	1268	1230
10	A'	1109	1076
11	A'	1005	975
12	A'	865	839
13	A'	542	525
14	A'	416	403
15	A"	3121	3027
16	A"	1457	1413
17	A"	1050	1018
18	A"	839	814
19	A"	602	584
20	A"	516	501
21	A"	134	130

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.953	-1.042	0.000
N3	0.250	1.393	0.000
O4	-1.304	-0.291	0.000
H5	1.998	-0.695	0.000
H6	0.771	-1.666	0.892
H7	0.771	-1.666	-0.892
H8	1.263	1.549	0.000
H9	-1.843	0.519	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5117	1.2868	1.3704	2.1616	2.1493	2.1493	1.8989	1.8831
C2	1.5117		2.5349	2.3790	1.1006	1.1035	1.1035	2.6093	3.2023
N3	1.2868	2.5349		2.2916	2.7228	3.2290	3.2290	1.0249	2.2684
O4	1.3704	2.3790	2.2916		3.3262	2.6443	2.6443	3.1582	0.9725
H5	2.1616	1.1006	2.7228	3.3262		1.8009	1.8009	2.3606	4.0276
H6	2.1493	1.1035	3.2290	2.6443	1.8009		1.7835	3.3724	3.5215
H7	2.1493	1.1035	3.2290	2.6443	1.8009	1.7835		3.3724	3.5215
H8	1.8989	2.6093	1.0249	3.1582	2.3606	3.3724	3.3724		3.2724
H9	1.8831	3.2023	2.2684	0.9725	4.0276	3.5215	3.5215	3.2724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.697	C1	C2	H6	109.550
C1	C2	H7	109.550	C1	N3	H8	109.932
C1	O4	H9	105.726	C2	C1	N3	129.692
C2	C1	O4	111.173	N3	C1	O4	119.135
H5	C2	H6	109.587	H5	C2	H7	109.587
H6	C2	H7	107.818

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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