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	hartrees
Energy at 0K	-133.029871
Energy at 298.15K	-133.034813
HF Energy	-133.029871
Nuclear repulsion energy	70.951869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3439	23.47
2	A	3484	3322	29.54
3	A	3199	3050	13.78
4	A	3105	2960	3.88
5	A	3091	2947	15.64
6	A	1671	1593	191.01
7	A	1648	1571	16.47
8	A	1463	1395	0.79
9	A	1333	1271	18.99
10	A	1270	1211	32.02
11	A	1046	998	18.19
12	A	975	930	26.31
13	A	961	916	1.29
14	A	764	729	104.83
15	A	683	651	12.04
16	A	454	433	85.30
17	A	450	429	2.38
18	A	130	124	261.99

Atom	x (Å)	y (Å)	z (Å)
C1	1.271	-0.193	0.000
C2	0.066	0.423	-0.000
N3	-1.185	-0.173	-0.000
H4	1.368	-1.282	0.000
H5	2.189	0.394	0.000
H6	0.023	1.518	-0.000
H7	-1.277	-1.188	0.000
H8	-2.033	0.388	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3531	2.4555	1.0938	1.0898	2.1175	2.7357	3.3546
C2	1.3531		1.3848	2.1453	2.1235	1.0965	2.0970	2.0991
N3	2.4555	1.3848		2.7835	3.4210	2.0780	1.0195	1.0168
H4	1.0938	2.1453	2.7835		1.8667	3.1067	2.6472	3.7891
H5	1.0898	2.1235	3.4210	1.8667		2.4401	3.8105	4.2222
H6	2.1175	1.0965	2.0780	3.1067	2.4401		3.0025	2.3467
H7	2.7357	2.0970	1.0195	2.6472	3.8105	3.0025		1.7474
H8	3.3546	2.0991	1.0168	3.7891	4.2222	2.3467	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.499	C1	C2	H6	119.266
C2	C1	H4	122.150	C2	C1	H5	120.364
C2	N3	H7	120.677	C2	N3	H8	121.110
N3	C2	H6	113.235	H4	C1	H5	117.485
H7	N3	H8	118.213

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: PBEPBE/3-21G*

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	-0.467
2	C	0.041
3	N	-0.729
4	H	0.164
5	H	0.178
6	H	0.199
7	H	0.306
8	H	0.307

	x	y	z	Total
	-2.100	-0.021	0.001	2.100
CHELPG
AIM
ESP

	x	y	z
x	6.144	-0.393	0.000
y	-0.393	3.956	0.000
z	0.000	0.000	1.137

<r²>	50.338
(<r²>)^1/2	7.095

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)