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	hartrees
Energy at 0K	-208.904251
Energy at 298.15K	-208.910646
HF Energy	-208.038760
Nuclear repulsion energy	122.152508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3571	68.23
2	A'	3583	3377	10.76
3	A'	3215	3031	6.06
4	A'	3102	2924	3.81
5	A'	1743	1643	206.15
6	A'	1506	1420	21.37
7	A'	1454	1371	72.85
8	A'	1396	1316	4.79
9	A'	1254	1182	90.94
10	A'	1108	1044	172.08
11	A'	1027	968	39.44
12	A'	891	840	1.00
13	A'	554	522	41.06
14	A'	426	401	1.87
15	A"	3186	3003	2.30
16	A"	1497	1411	9.18
17	A"	1073	1012	4.38
18	A"	854	805	24.09
19	A"	628	592	119.81
20	A"	529	499	20.22
21	A"	139	131	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.129	0.000
C2	0.922	-1.043	0.000
N3	0.271	1.369	0.000
O4	-1.289	-0.266	0.000
H5	1.958	-0.724	0.000
H6	0.733	-1.657	0.877
H7	0.733	-1.657	-0.877
H8	1.274	1.518	0.000
H9	-1.814	0.546	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4915	1.2698	1.3484	2.1359	2.1203	2.1203	1.8849	1.8617
C2	1.4915		2.4990	2.3445	1.0839	1.0870	1.0870	2.5854	3.1647
N3	1.2698	2.4990		2.2602	2.6886	3.1847	3.1847	1.0136	2.2422
O4	1.3484	2.3445	2.2602		3.2798	2.6066	2.6066	3.1228	0.9666
H5	2.1359	1.0839	2.6886	3.2798		1.7724	1.7724	2.3443	3.9806
H6	2.1203	1.0870	3.1847	2.6066	1.7724		1.7534	3.3384	3.4801
H7	2.1203	1.0870	3.1847	2.6066	1.7724	1.7534		3.3384	3.4801
H8	1.8849	2.5854	1.0136	3.1228	2.3443	3.3384	3.3384		3.2376
H9	1.8617	3.1647	2.2422	0.9666	3.9806	3.4801	3.4801	3.2376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.071	C1	C2	H6	109.634
C1	C2	H7	109.634	C1	N3	H8	110.772
C1	O4	H9	105.881	C2	C1	N3	129.471
C2	C1	O4	111.188	N3	C1	O4	119.341
H5	C2	H6	109.455	H5	C2	H7	109.455
H6	C2	H7	107.520

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

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

States and conformations

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