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	hartrees
Energy at 0K	-24.175911
Energy at 298.15K	-24.181257
HF Energy	-24.175911
Nuclear repulsion energy	40.319206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3513	5.27
2	A	3532	3411	5.09
3	A	3237	3126	29.92
4	A	3164	3055	10.10
5	A	3149	3041	12.56
6	A	1718	1659	145.78
7	A	1656	1599	28.16
8	A	1429	1380	3.32
9	A	1307	1262	13.96
10	A	1261	1218	40.72
11	A	1062	1026	16.94
12	A	977	944	43.26
13	A	928	896	3.65
14	A	780	753	102.24
15	A	716	692	111.45
16	A	623	602	225.14
17	A	447	431	4.14
18	A	339	327	54.85

Atom	x (Å)	y (Å)	z (Å)
C1	1.274	-0.201	0.018
C2	0.063	0.442	-0.000
N3	-1.208	-0.175	-0.096
H4	1.352	-1.295	0.020
H5	2.201	0.381	0.001
H6	0.019	1.538	-0.016
H7	-1.200	-1.166	0.151
H8	-1.943	0.320	0.408

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3717	2.4848	1.0966	1.0938	2.1445	2.6593	3.2831
C2	1.3717		1.4157	2.1633	2.1384	1.0965	2.0501	2.0512
N3	2.4848	1.4157		2.7966	3.4545	2.1081	1.0209	1.0201
H4	1.0966	2.1633	2.7966		1.8781	3.1306	2.5591	3.6907
H5	1.0938	2.1384	3.4545	1.8781		2.4690	3.7388	4.1644
H6	2.1445	1.0965	2.1081	3.1306	2.4690		2.9702	2.3482
H7	2.6593	2.0501	1.0209	2.5591	3.7388	2.9702		1.6813
H8	3.2831	2.0512	1.0201	3.6907	4.1644	2.3482	1.6813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.103	C1	C2	H6	120.249
C2	C1	H4	122.037	C2	C1	H5	119.881
C2	N3	H7	113.587	C2	N3	H8	113.743
N3	C2	H6	113.500	H4	C1	H5	118.058
H7	N3	H8	110.929

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3LYP/CEP-31G*

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	-0.568
2	C	-0.204
3	N	-0.423
4	H	0.203
5	H	0.190
6	H	0.234
7	H	0.282
8	H	0.285

	x	y	z	Total
	-1.164	-0.035	1.194	1.668
CHELPG
AIM
ESP

	x	y	z
x	6.716	-0.729	0.011
y	-0.729	4.081	0.042
z	0.011	0.042	2.403

<r²>	44.225
(<r²>)^1/2	6.650

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)