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	hartrees
Energy at 0K	-208.875045
Energy at 298.15K	-208.881418
HF Energy	-208.039301
Nuclear repulsion energy	121.585568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3774	3580
2	A'	3525	3344
3	A'	3154	2992
4	A'	3055	2898
5	A'	1740	1651
6	A'	1495	1418
7	A'	1457	1382
8	A'	1393	1321
9	A'	1273	1207
10	A'	1119	1062
11	A'	1020	967
12	A'	875	830
13	A'	548	520
14	A'	419	398
15	A"	3127	2967
16	A"	1482	1406
17	A"	1070	1015
18	A"	857	813
19	A"	621	589
20	A"	519	492
21	A"	138	131

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.923	-1.053	0.000
N3	0.280	1.374	0.000
O4	-1.300	-0.259	0.000
H5	1.963	-0.734	0.000
H6	0.731	-1.668	0.881
H7	0.731	-1.668	-0.881
H8	1.288	1.500	0.000
H9	-1.811	0.563	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5018	1.2736	1.3576	2.1457	2.1324	2.1324	1.8798	1.8612
C2	1.5018		2.5107	2.3609	1.0883	1.0911	1.0911	2.5796	3.1755
N3	1.2736	2.5107		2.2723	2.6975	3.1985	3.1985	1.0159	2.2424
O4	1.3576	2.3609	2.2723		3.2981	2.6240	2.6240	3.1297	0.9673
H5	2.1457	1.0883	2.6975	3.2981		1.7797	1.7797	2.3343	3.9906
H6	2.1324	1.0911	3.1985	2.6240	1.7797		1.7614	3.3354	3.4943
H7	2.1324	1.0911	3.1985	2.6240	1.7797	1.7614		3.3354	3.4943
H8	1.8798	2.5796	1.0159	3.1297	2.3343	3.3354	3.3354		3.2374
H9	1.8612	3.1755	2.2424	0.9673	3.9906	3.4943	3.4943	3.2374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.871	C1	C2	H6	109.640
C1	C2	H7	109.640	C1	N3	H8	109.867
C1	O4	H9	105.128	C2	C1	N3	129.369
C2	C1	O4	111.213	N3	C1	O4	119.418
H5	C2	H6	109.495	H5	C2	H7	109.495
H6	C2	H7	107.639

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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