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	hartrees
Energy at 0K	-207.996012
Energy at 298.15K	-208.002604
HF Energy	-207.996012
Nuclear repulsion energy	122.614396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4119	3756	97.16
2	A'	3780	3447	11.56
3	A'	3286	2997	19.68
4	A'	3187	2907	8.72
5	A'	1895	1728	346.60
6	A'	1585	1446	30.25
7	A'	1557	1420	76.94
8	A'	1492	1361	5.38
9	A'	1378	1256	92.94
10	A'	1210	1103	195.50
11	A'	1102	1005	43.97
12	A'	931	849	0.22
13	A'	594	542	41.62
14	A'	455	415	2.01
15	A"	3257	2971	12.03
16	A"	1571	1433	7.30
17	A"	1158	1056	7.86
18	A"	920	839	34.29
19	A"	658	601	102.60
20	A"	554	505	55.70
21	A"	153	140	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	0.878	-1.084	0.000
N3	0.334	1.344	0.000
O4	-1.297	-0.198	0.000
H5	1.927	-0.806	0.000
H6	0.659	-1.688	0.880
H7	0.659	-1.688	-0.880
H8	1.331	1.451	0.000
H9	-1.805	0.601	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5014	1.2551	1.3394	2.1448	2.1280	2.1280	1.8727	1.8648
C2	1.5014		2.4879	2.3485	1.0858	1.0892	1.0892	2.5754	3.1682
N3	1.2551	2.4879		2.2454	2.6762	3.1735	3.1735	1.0027	2.2654
O4	1.3394	2.3485	2.2454		3.2817	2.6118	2.6118	3.1035	0.9468
H5	2.1448	1.0858	2.6762	3.2817		1.7773	1.7773	2.3350	3.9893
H6	2.1280	1.0892	3.1735	2.6118	1.7773		1.7596	3.3284	3.4765
H7	2.1280	1.0892	3.1735	2.6118	1.7773	1.7596		3.3284	3.4765
H8	1.8727	2.5754	1.0027	3.1035	2.3350	3.3284	3.3284		3.2501
H9	1.8648	3.1682	2.2654	0.9468	3.9893	3.4765	3.4765	3.2501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.971	C1	C2	H6	109.426
C1	C2	H7	109.426	C1	N3	H8	111.591
C1	O4	H9	108.073	C2	C1	N3	128.772
C2	C1	O4	111.397	N3	C1	O4	119.831
H5	C2	H6	109.601	H5	C2	H7	109.601
H6	C2	H7	107.754

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	0.102
2	C	1.078
3	N	-0.156
4	O	-1.315
5	H	-0.165
6	H	0.048
7	H	0.048
8	H	-0.025
9	H	0.387

	x	y	z	Total
	1.098	-1.364	0.000	1.752
CHELPG
AIM
ESP

	x	y	z
x	5.575	0.188	0.000
y	0.188	6.397	0.000
z	0.000	0.000	4.229

<r²>	74.298
(<r²>)^1/2	8.620

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

using model chemistry: HF/daug-cc-pVDZ

States and conformations

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