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	hartrees
Energy at 0K	-132.073279
Energy at 298.15K	-132.078551
HF Energy	-132.073279
Nuclear repulsion energy	69.848881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3348	1.18
2	A	3500	3197	0.37
3	A	3466	3167	2.27
4	A	3380	3088	0.27
5	A	3342	3054	25.07
6	A	1821	1663	43.86
7	A	1756	1605	13.65
8	A	1539	1406	2.45
9	A	1375	1256	1.93
10	A	1358	1240	7.63
11	A	1127	1029	0.46
12	A	1044	954	15.85
13	A	998	912	2.00
14	A	837	764	26.82
15	A	748	683	186.84
16	A	660	603	75.20
17	A	469	429	8.10
18	A	380	347	45.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.264	-0.204	0.016
C2	0.080	0.448	0.008
N3	-1.221	-0.173	-0.124
H4	1.322	-1.302	0.031
H5	2.212	0.348	-0.004
H6	0.032	1.554	-0.013
H7	-1.171	-1.177	0.212
H8	-1.920	0.323	0.501

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3517	2.4890	1.0996	1.0975	2.1467	2.6293	3.2637
C2	1.3517		1.4477	2.1464	2.1342	1.1065	2.0610	2.0641
N3	2.4890	1.4477		2.7869	3.4743	2.1359	1.0599	1.0604
H4	1.0996	2.1464	2.7869		1.8754	3.1339	2.5028	3.6569
H5	1.0975	2.1342	3.4743	1.8754		2.4911	3.7172	4.1631
H6	2.1467	1.1065	2.1359	3.1339	2.4911		2.9921	2.3644
H7	2.6293	2.0610	1.0599	2.5028	3.7172	2.9921		1.7008
H8	3.2637	2.0641	1.0604	3.6569	4.1631	2.3644	1.7008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	125.487	C1	C2	H6	121.363
C2	C1	H4	121.901	C2	C1	H5	120.890
C2	N3	H7	109.583	C2	N3	H8	109.806
N3	C2	H6	112.806	H4	C1	H5	117.206
H7	N3	H8	106.673

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: PBEPBE/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	-0.210
2	C	-0.029
3	N	-0.348
4	H	0.067
5	H	0.075
6	H	0.081
7	H	0.182
8	H	0.181

	x	y	z	Total
	-0.836	-0.153	1.360	1.603
CHELPG
AIM
ESP

	x	y	z
x	4.211	-0.274	-0.137
y	-0.274	2.526	0.015
z	-0.137	0.015	0.624

<r²>	50.310
(<r²>)^1/2	7.093

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)