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	hartrees
Energy at 0K	-208.664515
Energy at 298.15K	-208.670842
HF Energy	-207.973812
Nuclear repulsion energy	120.846498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3763	3625
2	A'	3499	3370
3	A'	3176	3059
4	A'	3067	2954
5	A'	1759	1694
6	A'	1485	1431
7	A'	1461	1407
8	A'	1383	1332
9	A'	1286	1239
10	A'	1128	1087
11	A'	1010	973
12	A'	879	847
13	A'	543	523
14	A'	415	399
15	A"	3151	3035
16	A"	1466	1412
17	A"	1059	1020
18	A"	854	823
19	A"	620	598
20	A"	511	492
21	A"	124	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.917	-1.069	0.000
N3	0.292	1.382	0.000
O4	-1.307	-0.249	0.000
H5	1.974	-0.761	0.000
H6	0.714	-1.689	0.891
H7	0.714	-1.689	-0.891
H8	1.314	1.488	0.000
H9	-1.802	0.588	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5110	1.2833	1.3616	2.1670	2.1501	2.1501	1.8874	1.8590
C2	1.5110		2.5294	2.3698	1.1016	1.1042	1.1042	2.5871	3.1841
N3	1.2833	2.5294		2.2843	2.7247	3.2259	3.2259	1.0274	2.2395
O4	1.3616	2.3698	2.2843		3.3209	2.6368	2.6368	3.1441	0.9731
H5	2.1670	1.1016	2.7247	3.3209		1.8008	1.8008	2.3436	4.0104
H6	2.1501	1.1042	3.2259	2.6368	1.8008		1.7812	3.3536	3.5092
H7	2.1501	1.1042	3.2259	2.6368	1.8008	1.7812		3.3536	3.5092
H8	1.8874	2.5871	1.0274	3.1441	2.3436	3.3536	3.3536		3.2432
H9	1.8590	3.1841	2.2395	0.9731	4.0104	3.5092	3.5092	3.2432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.117	C1	C2	H6	109.614
C1	C2	H7	109.614	C1	N3	H8	109.035
C1	O4	H9	104.309	C2	C1	N3	129.513
C2	C1	O4	111.061	N3	C1	O4	119.426
H5	C2	H6	109.452	H5	C2	H7	109.452
H6	C2	H7	107.520

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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