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	hartrees
Energy at 0K	-209.138718
Energy at 298.15K	-209.144940
HF Energy	-209.138718
Nuclear repulsion energy	120.547558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3567	22.26
2	A'	3389	3371	0.65
3	A'	3069	3052	13.92
4	A'	2974	2958	8.11
5	A'	1673	1663	181.91
6	A'	1447	1439	22.76
7	A'	1393	1385	45.99
8	A'	1353	1345	2.22
9	A'	1227	1220	82.97
10	A'	1070	1064	147.67
11	A'	980	975	49.28
12	A'	835	831	2.01
13	A'	531	528	34.32
14	A'	406	404	1.29
15	A"	3030	3013	8.98
16	A"	1436	1428	5.54
17	A"	1036	1030	6.07
18	A"	816	812	17.20
19	A"	624	620	111.85
20	A"	508	505	11.98
21	A"	108	108	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.947	-1.048	0.000
N3	0.254	1.391	0.000
O4	-1.303	-0.285	0.000
H5	1.993	-0.716	0.000
H6	0.769	-1.678	0.885
H7	0.769	-1.678	-0.885
H8	1.266	1.562	0.000
H9	-1.836	0.537	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5153	1.2813	1.3687	2.1672	2.1591	2.1591	1.9078	1.8795
C2	1.5153		2.5353	2.3758	1.0973	1.1014	1.1014	2.6292	3.2029
N3	1.2813	2.5353		2.2871	2.7319	3.2353	3.2353	1.0267	2.2574
O4	1.3687	2.3758	2.2871		3.3239	2.6486	2.6486	3.1639	0.9799
H5	2.1672	1.0973	2.7319	3.3239		1.7915	1.7915	2.3909	4.0289
H6	2.1591	1.1014	3.2353	2.6486	1.7915		1.7708	3.3955	3.5319
H7	2.1591	1.1014	3.2353	2.6486	1.7915	1.7708		3.3955	3.5319
H8	1.9078	2.6292	1.0267	3.1639	2.3909	3.3955	3.3955		3.2670
H9	1.8795	3.2029	2.2574	0.9799	4.0289	3.5319	3.5319	3.2670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.081	C1	C2	H6	110.194
C1	C2	H7	110.194	C1	N3	H8	111.021
C1	O4	H9	105.104	C2	C1	N3	129.881
C2	C1	O4	110.828	N3	C1	O4	119.291
H5	C2	H6	109.134	H5	C2	H7	109.134
H6	C2	H7	107.006

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.364
2	C	-0.410
3	N	-0.488
4	O	-0.328
5	H	0.113
6	H	0.134
7	H	0.134
8	H	0.201
9	H	0.281

	x	y	z	Total
	0.909	-0.994	0.000	1.347
CHELPG
AIM
ESP

	x	y	z
x	5.601	0.154	0.000
y	0.154	5.984	0.000
z	0.000	0.000	3.355

<r²>	75.745
(<r²>)^1/2	8.703

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

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

States and conformations

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