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	hartrees
Energy at 0K	-208.868171
Energy at 298.15K	-208.862643
HF Energy	-207.950026
Nuclear repulsion energy	122.805514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4070	4070	80.17
2	A'	3793	3793	1.98
3	A'	3303	3303	21.08
4	A'	3210	3210	8.16
5	A'	1934	1934	335.69
6	A'	1621	1621	27.72
7	A'	1586	1586	80.61
8	A'	1518	1518	10.22
9	A'	1402	1402	113.32
10	A'	1218	1218	206.27
11	A'	1115	1115	37.82
12	A'	936	936	0.51
13	A'	597	597	46.08
14	A'	453	453	1.94
15	A"	3281	3281	11.87
16	A"	1608	1608	5.30
17	A"	1177	1177	15.76
18	A"	942	942	34.90
19	A"	688	688	178.72
20	A"	564	564	38.50
21	A"	149	149	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.137	0.000
C2	0.881	-1.081	0.000
N3	0.325	1.345	0.000
O4	-1.291	-0.204	0.000
H5	1.930	-0.809	0.000
H6	0.664	-1.686	0.877
H7	0.664	-1.686	-0.877
H8	1.317	1.468	0.000
H9	-1.805	0.590	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5035	1.2510	1.3356	2.1500	2.1292	2.1292	1.8725	1.8614
C2	1.5035		2.4895	2.3420	1.0844	1.0867	1.0867	2.5866	3.1637
N3	1.2510	2.4895		2.2391	2.6870	3.1735	3.1735	0.9999	2.2602
O4	1.3356	2.3420	2.2391		3.2778	2.6052	2.6052	3.0985	0.9466
H5	2.1500	1.0844	2.6870	3.2778		1.7719	1.7719	2.3586	3.9894
H6	2.1292	1.0867	3.1735	2.6052	1.7719		1.7537	3.3379	3.4711
H7	2.1292	1.0867	3.1735	2.6052	1.7719	1.7537		3.3379	3.4711
H8	1.8725	2.5866	0.9999	3.0985	2.3586	3.3379	3.3379		3.2437
H9	1.8614	3.1637	2.2602	0.9466	3.9894	3.4711	3.4711	3.2437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.328	C1	C2	H6	109.526
C1	C2	H7	109.526	C1	N3	H8	112.108
C1	O4	H9	108.088	C2	C1	N3	129.093
C2	C1	O4	111.028	N3	C1	O4	119.879
H5	C2	H6	109.394	H5	C2	H7	109.394
H6	C2	H7	107.593

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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