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	hartrees
Energy at 0K	-208.964781
Energy at 298.15K	-208.971159
HF Energy	-208.038502
Nuclear repulsion energy	121.828772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3793	3793
2	A'	3547	3547
3	A'	3163	3163
4	A'	3063	3063
5	A'	1740	1740
6	A'	1499	1499
7	A'	1454	1454
8	A'	1397	1397
9	A'	1266	1266
10	A'	1115	1115
11	A'	1024	1024
12	A'	880	880
13	A'	552	552
14	A'	421	421
15	A"	3135	3135
16	A"	1489	1489
17	A"	1070	1070
18	A"	854	854
19	A"	617	617
20	A"	520	520
21	A"	141	141

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.919	-1.053	0.000
N3	0.282	1.370	0.000
O4	-1.296	-0.255	0.000
H5	1.960	-0.738	0.000
H6	0.726	-1.668	0.880
H7	0.726	-1.668	-0.880
H8	1.287	1.510	0.000
H9	-1.816	0.558	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4984	1.2712	1.3521	2.1436	2.1290	2.1290	1.8871	1.8659
C2	1.4984		2.5055	2.3545	1.0873	1.0904	1.0904	2.5897	3.1747
N3	1.2712	2.5055		2.2648	2.6946	3.1933	3.1933	1.0153	2.2492
O4	1.3521	2.3545	2.2648		3.2915	2.6185	2.6185	3.1287	0.9656
H5	2.1436	1.0873	2.6946	3.2915		1.7778	1.7778	2.3470	3.9924
H6	2.1290	1.0904	3.1933	2.6185	1.7778		1.7597	3.3448	3.4915
H7	2.1290	1.0904	3.1933	2.6185	1.7778	1.7597		3.3448	3.4915
H8	1.8871	2.5897	1.0153	3.1287	2.3470	3.3448	3.3448		3.2459
H9	1.8659	3.1747	2.2492	0.9656	3.9924	3.4915	3.4915	3.2459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.998	C1	C2	H6	109.649
C1	C2	H7	109.649	C1	N3	H8	110.745
C1	O4	H9	106.037	C2	C1	N3	129.368
C2	C1	O4	111.278	N3	C1	O4	119.354
H5	C2	H6	109.444	H5	C2	H7	109.444
H6	C2	H7	107.590

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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