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	hartrees
Energy at 0K	-133.915489
Energy at 298.15K	-133.920845
HF Energy	-133.915489
Nuclear repulsion energy	71.331819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3554	9.44
2	A	3499	3449	8.13
3	A	3195	3149	14.68
4	A	3103	3058	9.57
5	A	3096	3052	13.56
6	A	1670	1646	166.27
7	A	1627	1603	21.15
8	A	1426	1406	1.35
9	A	1316	1297	14.41
10	A	1264	1245	37.86
11	A	1055	1040	15.06
12	A	970	956	26.18
13	A	943	930	4.51
14	A	768	757	67.46
15	A	684	674	10.71
16	A	569	561	275.54
17	A	464	457	2.70
18	A	353	348	51.70

Atom	x (Å)	y (Å)	z (Å)
C1	1.255	-0.196	0.015
C2	0.067	0.429	0.001
N3	-1.187	-0.170	-0.083
H4	1.337	-1.281	0.023
H5	2.175	0.377	-0.001
H6	0.025	1.518	-0.012
H7	-1.215	-1.159	0.131
H8	-1.947	0.339	0.346

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3423	2.4443	1.0883	1.0840	2.1103	2.6536	3.2636
C2	1.3423		1.3925	2.1302	2.1084	1.0900	2.0451	2.0460
N3	2.4443	1.3925		2.7600	3.4073	2.0790	1.0122	1.0106
H4	1.0883	2.1302	2.7600		1.8582	3.0919	2.5573	3.6764
H5	1.0840	2.1084	3.4073	1.8582		2.4345	3.7241	4.1372
H6	2.1103	1.0900	2.0790	3.0919	2.4345		2.9533	2.3254
H7	2.6536	2.0451	1.0122	2.5573	3.7241	2.9533		1.6808
H8	3.2636	2.0460	1.0106	3.6764	4.1372	2.3254	1.6808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.691	C1	C2	H6	120.006
C2	C1	H4	122.076	C2	C1	H5	120.304
C2	N3	H7	115.614	C2	N3	H8	115.826
N3	C2	H6	113.183	H4	C1	H5	117.609
H7	N3	H8	112.384

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B97D3/TZVP

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	-0.326
2	C	-0.034
3	N	-0.359
4	H	0.092
5	H	0.108
6	H	0.097
7	H	0.207
8	H	0.214

	x	y	z	Total
	-1.398	-0.043	0.928	1.678
CHELPG
AIM
ESP

	x	y	z
x	7.211	-0.541	0.010
y	-0.541	4.708	-0.011
z	0.010	-0.011	3.401

<r²>	50.183
(<r²>)^1/2	7.084

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)