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	hartrees
Energy at 0K	-208.735826
Energy at 298.15K	-208.742237
HF Energy	-207.982272
Nuclear repulsion energy	121.971984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3864	3660	57.61
2	A'	3599	3409	4.17
3	A'	3214	3045	8.37
4	A'	3110	2946	3.58
5	A'	1816	1721	199.01
6	A'	1522	1441	24.17
7	A'	1490	1411	63.80
8	A'	1423	1348	0.78
9	A'	1305	1236	98.98
10	A'	1141	1081	178.96
11	A'	1040	985	26.96
12	A'	895	847	0.75
13	A'	560	530	40.28
14	A'	426	404	1.62
15	A"	3189	3020	3.90
16	A"	1505	1426	6.55
17	A"	1091	1033	8.74
18	A"	886	839	25.84
19	A"	632	598	115.85
20	A"	528	500	26.01
21	A"	136	129	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.136	0.000
C2	0.901	-1.067	0.000
N3	0.303	1.364	0.000
O4	-1.297	-0.237	0.000
H5	1.950	-0.772	0.000
H6	0.696	-1.679	0.880
H7	0.696	-1.679	-0.880
H8	1.310	1.483	0.000
H9	-1.804	0.581	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5027	1.2655	1.3494	2.1507	2.1332	2.1332	1.8794	1.8584
C2	1.5027		2.5037	2.3495	1.0887	1.0915	1.0915	2.5823	3.1677
N3	1.2655	2.5037		2.2636	2.6978	3.1921	3.1921	1.0143	2.2480
O4	1.3494	2.3495	2.2636		3.2902	2.6122	2.6122	3.1234	0.9627
H5	2.1507	1.0887	2.6978	3.2902		1.7797	1.7797	2.3445	3.9903
H6	2.1332	1.0915	3.1921	2.6122	1.7797		1.7603	3.3389	3.4830
H7	2.1332	1.0915	3.1921	2.6122	1.7797	1.7603		3.3389	3.4830
H8	1.8794	2.5823	1.0143	3.1234	2.3445	3.3389	3.3389		3.2424
H9	1.8584	3.1677	2.2480	0.9627	3.9903	3.4830	3.4830	3.2424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.179	C1	C2	H6	109.618
C1	C2	H7	109.618	C1	N3	H8	110.560
C1	O4	H9	105.763	C2	C1	N3	129.302
C2	C1	O4	110.815	N3	C1	O4	119.883
H5	C2	H6	109.431	H5	C2	H7	109.431
H6	C2	H7	107.486

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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