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	hartrees
Energy at 0K	-208.709649
Energy at 298.15K	-208.715998
HF Energy	-208.014400
Nuclear repulsion energy	121.526078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3676	47.99
2	A'	3564	3400	2.11
3	A'	3168	3022	14.41
4	A'	3072	2931	7.36
5	A'	1777	1696	200.05
6	A'	1512	1442	18.77
7	A'	1480	1412	56.47
8	A'	1412	1347	0.36
9	A'	1305	1245	94.86
10	A'	1139	1086	180.51
11	A'	1033	985	35.57
12	A'	886	845	1.01
13	A'	556	530	42.97
14	A'	425	405	1.63
15	A"	3146	3001	9.00
16	A"	1496	1427	7.54
17	A"	1082	1033	4.97
18	A"	865	825	24.47
19	A"	608	580	122.68
20	A"	508	485	26.44
21	A"	120	115	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.916	-1.064	0.000
N3	0.288	1.373	0.000
O4	-1.301	-0.249	0.000
H5	1.964	-0.754	0.000
H6	0.715	-1.676	0.885
H7	0.715	-1.676	-0.885
H8	1.298	1.491	0.000
H9	-1.804	0.573	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5077	1.2722	1.3558	2.1552	2.1378	2.1378	1.8783	1.8566
C2	1.5077		2.5160	2.3618	1.0926	1.0948	1.0948	2.5831	3.1745
N3	1.2722	2.5160		2.2706	2.7074	3.2032	3.2032	1.0168	2.2401
O4	1.3558	2.3618	2.2706		3.3034	2.6236	2.6236	3.1277	0.9637
H5	2.1552	1.0926	2.7074	3.3034		1.7869	1.7869	2.3415	3.9946
H6	2.1378	1.0948	3.2032	2.6236	1.7869		1.7699	3.3397	3.4909
H7	2.1378	1.0948	3.2032	2.6236	1.7869	1.7699		3.3397	3.4909
H8	1.8783	2.5831	1.0168	3.1277	2.3415	3.3397	3.3397		3.2353
H9	1.8566	3.1745	2.2401	0.9637	3.9946	3.4909	3.4909	3.2353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.948	C1	C2	H6	109.431
C1	C2	H7	109.431	C1	N3	H8	109.783
C1	O4	H9	105.083	C2	C1	N3	129.473
C2	C1	O4	111.021	N3	C1	O4	119.506
H5	C2	H6	109.554	H5	C2	H7	109.554
H6	C2	H7	107.865

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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