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	hartrees
Energy at 0K	-208.165395
Energy at 298.15K	-208.171667
HF Energy	-208.165395
Nuclear repulsion energy	122.294098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3625	3587	44.18
2	A'	3461	3425	5.83
3	A'	3095	3062	4.70
4	A'	2985	2954	2.24
5	A'	1743	1725	216.13
6	A'	1427	1412	62.61
7	A'	1401	1386	42.36
8	A'	1312	1298	6.71
9	A'	1222	1209	118.60
10	A'	1061	1050	174.91
11	A'	969	959	15.00
12	A'	883	874	5.28
13	A'	536	531	50.02
14	A'	410	405	2.23
15	A"	3058	3026	1.21
16	A"	1391	1377	14.77
17	A"	1019	1009	12.21
18	A"	811	802	12.32
19	A"	652	645	144.49
20	A"	511	506	12.52
21	A"	117	116	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.126	0.000
C2	0.924	-1.034	0.000
N3	0.257	1.366	0.000
O4	-1.281	-0.273	0.000
H5	1.973	-0.714	0.000
H6	0.734	-1.662	0.884
H7	0.734	-1.662	-0.884
H8	1.265	1.544	0.000
H9	-1.795	0.563	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4833	1.2664	1.3420	2.1449	2.1255	2.1255	1.9006	1.8471
C2	1.4833		2.4915	2.3333	1.0971	1.1009	1.1009	2.6010	3.1532
N3	1.2664	2.4915		2.2474	2.6974	3.1907	3.1907	1.0244	2.2029
O4	1.3420	2.3333	2.2474		3.2847	2.6027	2.6027	3.1284	0.9805
H5	2.1449	1.0971	2.6974	3.2847		1.7936	1.7936	2.3669	3.9787
H6	2.1255	1.1009	3.1907	2.6027	1.7936		1.7680	3.3683	3.4823
H7	2.1255	1.1009	3.1907	2.6027	1.7936	1.7680		3.3683	3.4823
H8	1.9006	2.6010	1.0244	3.1284	2.3669	3.3683	3.3683		3.2135
H9	1.8471	3.1532	2.2029	0.9805	3.9787	3.4823	3.4823	3.2135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.577	C1	C2	H6	109.788
C1	C2	H7	109.788	C1	N3	H8	111.698
C1	O4	H9	104.283	C2	C1	N3	129.779
C2	C1	O4	111.256	N3	C1	O4	118.965
H5	C2	H6	109.370	H5	C2	H7	109.370
H6	C2	H7	106.829

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

using model chemistry: SVWN/6-311G**

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	0.144
2	C	-0.404
3	N	-0.400
4	O	-0.294
5	H	0.151
6	H	0.180
7	H	0.180
8	H	0.186
9	H	0.256

	x	y	z	Total
	1.122	-0.980	0.000	1.489
CHELPG
AIM
ESP

	x	y	z
x	5.604	0.103	0.000
y	0.103	6.115	0.000
z	0.000	0.000	3.397

<r²>	74.074
(<r²>)^1/2	8.607

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

using model chemistry: SVWN/6-311G**

States and conformations

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