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	hartrees
Energy at 0K	-208.814438
Energy at 298.15K	-208.820817
HF Energy	-208.038387
Nuclear repulsion energy	121.903934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3568	67.49
2	A'	3571	3369	10.19
3	A'	3203	3022	6.35
4	A'	3090	2915	4.01
5	A'	1733	1635	204.09
6	A'	1503	1418	21.67
7	A'	1449	1367	69.18
8	A'	1392	1313	5.05
9	A'	1252	1181	89.28
10	A'	1106	1044	171.62
11	A'	1024	966	41.58
12	A'	884	834	0.98
13	A'	552	520	40.60
14	A'	424	400	1.87
15	A"	3175	2996	2.51
16	A"	1494	1409	8.91
17	A"	1070	1010	4.02
18	A"	851	803	24.06
19	A"	624	589	119.57
20	A"	526	496	19.71
21	A"	137	129	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.925	-1.046	0.000
N3	0.271	1.373	0.000
O4	-1.292	-0.266	0.000
H5	1.962	-0.725	0.000
H6	0.735	-1.660	0.878
H7	0.735	-1.660	-0.878
H8	1.276	1.519	0.000
H9	-1.817	0.547	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4957	1.2723	1.3513	2.1398	2.1248	2.1248	1.8860	1.8643
C2	1.4957		2.5054	2.3500	1.0855	1.0886	1.0886	2.5885	3.1708
N3	1.2723	2.5054		2.2649	2.6941	3.1914	3.1914	1.0151	2.2458
O4	1.3513	2.3500	2.2649		3.2860	2.6119	2.6119	3.1272	0.9676
H5	2.1398	1.0855	2.6941	3.2860		1.7755	1.7755	2.3461	3.9871
H6	2.1248	1.0886	3.1914	2.6119	1.7755		1.7565	3.3422	3.4861
H7	2.1248	1.0886	3.1914	2.6119	1.7755	1.7565		3.3422	3.4861
H8	1.8860	2.5885	1.0151	3.1272	2.3461	3.3422	3.3422		3.2420
H9	1.8643	3.1708	2.2458	0.9676	3.9871	3.4861	3.4861	3.2420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.992	C1	C2	H6	109.603
C1	C2	H7	109.603	C1	N3	H8	110.575
C1	O4	H9	105.831	C2	C1	N3	129.502
C2	C1	O4	111.160	N3	C1	O4	119.339
H5	C2	H6	109.504	H5	C2	H7	109.504
H6	C2	H7	107.568

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

using model chemistry: MP2/6-311+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: MP2/6-311+G(3df,2p)

States and conformations

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