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	hartrees
Energy at 0K	-24.191347
Energy at 298.15K	-24.196742
HF Energy	-24.191347
Nuclear repulsion energy	40.617746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3501	1.90
2	A	3511	3403	2.56
3	A	3223	3125	24.26
4	A	3144	3048	15.60
5	A	3123	3027	12.04
6	A	1701	1649	129.15
7	A	1664	1613	45.90
8	A	1446	1402	2.04
9	A	1321	1281	11.54
10	A	1279	1240	36.54
11	A	1065	1032	12.25
12	A	985	955	31.69
13	A	950	921	4.28
14	A	785	761	87.87
15	A	735	713	121.25
16	A	634	614	203.07
17	A	460	446	3.64
18	A	336	325	51.84

Atom	x (Å)	y (Å)	z (Å)
C1	1.261	-0.200	0.018
C2	0.070	0.434	-0.001
N3	-1.202	-0.169	-0.095
H4	1.339	-1.287	0.024
H5	2.185	0.371	-0.000
H6	0.032	1.525	-0.017
H7	-1.202	-1.158	0.143
H8	-1.929	0.325	0.414

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3488	2.4651	1.0905	1.0863	2.1177	2.6452	3.2563
C2	1.3488		1.4111	2.1387	2.1154	1.0915	2.0430	2.0446
N3	2.4651	1.4111		2.7781	3.4305	2.0976	1.0169	1.0161
H4	1.0905	2.1387	2.7781		1.8619	3.1013	2.5466	3.6642
H5	1.0863	2.1154	3.4305	1.8619		2.4423	3.7184	4.1345
H6	2.1177	1.0915	2.0976	3.1013	2.4423		2.9575	2.3395
H7	2.6452	2.0430	1.0169	2.5466	3.7184	2.9575		1.6730
H8	3.2563	2.0446	1.0161	3.6642	4.1345	2.3395	1.6730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.536	C1	C2	H6	120.041
C2	C1	H4	122.149	C2	C1	H5	120.233
C2	N3	H7	113.593	C2	N3	H8	113.792
N3	C2	H6	113.277	H4	C1	H5	117.598
H7	N3	H8	110.763

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3LYP/CEP-121G*

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	-0.497
2	C	-0.008
3	N	-0.582
4	H	0.144
5	H	0.155
6	H	0.159
7	H	0.311
8	H	0.317

	x	y	z	Total
	-1.176	-0.042	1.149	1.645
CHELPG
AIM
ESP

	x	y	z
x	6.932	-0.595	-0.037
y	-0.595	4.613	-0.001
z	-0.037	-0.001	2.840

<r²>	43.945
(<r²>)^1/2	6.629

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)