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	hartrees
Energy at 0K	-132.211016
Energy at 298.15K	-132.216359
HF Energy	-132.211016
Nuclear repulsion energy	70.305912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3358	0.22
2	A	3598	3184	1.95
3	A	3586	3173	0.41
4	A	3467	3069	0.57
5	A	3426	3032	31.20
6	A	1882	1666	51.76
7	A	1807	1599	12.82
8	A	1580	1399	2.69
9	A	1411	1249	0.80
10	A	1392	1232	11.25
11	A	1154	1022	1.05
12	A	1086	961	13.60
13	A	1027	909	1.49
14	A	899	796	30.08
15	A	776	687	177.05
16	A	679	601	93.19
17	A	476	422	5.74
18	A	376	333	49.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.255	-0.204	0.016
C2	0.083	0.445	0.004
N3	-1.214	-0.171	-0.119
H4	1.313	-1.295	0.027
H5	2.199	0.343	0.006
H6	0.039	1.544	-0.012
H7	-1.173	-1.168	0.206
H8	-1.911	0.326	0.490

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3401	2.4733	1.0930	1.0912	2.1297	2.6194	3.2451
C2	1.3401		1.4409	2.1312	2.1190	1.1002	2.0542	2.0555
N3	2.4733	1.4409		2.7695	3.4542	2.1268	1.0497	1.0502
H4	1.0930	2.1312	2.7695		1.8634	3.1123	2.4950	3.6380
H5	1.0912	2.1190	3.4542	1.8634		2.4717	3.7008	4.1387
H6	2.1297	1.1002	2.1268	3.1123	2.4717		2.9788	2.3533
H7	2.6194	2.0542	1.0497	2.4950	3.7008	2.9788		1.6908
H8	3.2451	2.0555	1.0502	3.6380	4.1387	2.3533	1.6908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	125.544	C1	C2	H6	121.240
C2	C1	H4	121.967	C2	C1	H5	120.933
C2	N3	H7	110.137	C2	N3	H8	110.225
N3	C2	H6	112.957	H4	C1	H5	117.097
H7	N3	H8	107.251

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3PW91/STO-3G

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	-0.208
2	C	-0.015
3	N	-0.367
4	H	0.067
5	H	0.075
6	H	0.082
7	H	0.183
8	H	0.182

	x	y	z	Total
	-0.720	-0.110	1.383	1.563
CHELPG
AIM
ESP

	x	y	z
x	4.097	-0.319	-0.140
y	-0.319	2.502	0.015
z	-0.140	0.015	0.599

<r²>	49.864
(<r²>)^1/2	7.061

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)