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	hartrees
Energy at 0K	-133.846178
Energy at 298.15K	-133.851610
HF Energy	-133.846178
Nuclear repulsion energy	71.817690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3699	3555	16.60
2	A	3592	3452	13.57
3	A	3262	3135	9.91
4	A	3171	3048	7.00
5	A	3161	3038	9.21
6	A	1730	1662	168.91
7	A	1649	1585	24.38
8	A	1449	1393	1.35
9	A	1337	1285	11.13
10	A	1298	1247	39.24
11	A	1085	1043	15.11
12	A	1010	971	23.04
13	A	964	926	2.26
14	A	824	792	71.17
15	A	715	687	11.91
16	A	579	557	258.48
17	A	468	450	3.18
18	A	360	346	51.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.246	-0.195	0.015
C2	0.067	0.425	-0.001
N3	-1.179	-0.169	-0.083
H4	1.326	-1.276	0.019
H5	2.161	0.377	0.005
H6	0.029	1.509	-0.009
H7	-1.206	-1.151	0.138
H8	-1.932	0.341	0.345

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3319	2.4264	1.0838	1.0795	2.0941	2.6342	3.2394
C2	1.3319		1.3818	2.1162	2.0948	1.0856	2.0298	2.0303
N3	2.4264	1.3818		2.7408	3.3850	2.0687	1.0069	1.0052
H4	1.0838	2.1162	2.7408		1.8518	3.0727	2.5385	3.6521
H5	1.0795	2.0948	3.3850	1.8518		2.4138	3.6998	4.1072
H6	2.0941	1.0856	2.0687	3.0727	2.4138		2.9364	2.3103
H7	2.6342	2.0298	1.0069	2.5385	3.6998	2.9364		1.6716
H8	3.2394	2.0303	1.0052	3.6521	4.1072	2.3103	1.6716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.792	C1	C2	H6	119.704
C2	C1	H4	121.997	C2	C1	H5	120.252
C2	N3	H7	115.475	C2	N3	H8	115.647
N3	C2	H6	113.409	H4	C1	H5	117.740
H7	N3	H8	112.354

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.356
2	C	-0.013
3	N	-0.237
4	H	0.094
5	H	0.114
6	H	0.112
7	H	0.143
8	H	0.144

	x	y	z	Total
	-1.377	-0.027	0.895	1.642
CHELPG
AIM
ESP

	x	y	z
x	6.949	-0.469	-0.025
y	-0.469	4.707	-0.001
z	-0.025	-0.001	3.141

<r²>	49.516
(<r²>)^1/2	7.037

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)