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	hartrees
Energy at 0K	-133.964618
Energy at 298.15K	-133.970055
HF Energy	-133.964618
Nuclear repulsion energy	71.841144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3554	16.11
2	A	3599	3452	13.27
3	A	3267	3134	10.15
4	A	3177	3048	6.77
5	A	3167	3038	9.26
6	A	1732	1661	167.73
7	A	1654	1586	23.87
8	A	1455	1395	1.41
9	A	1341	1286	10.67
10	A	1300	1247	40.16
11	A	1086	1042	15.27
12	A	1013	971	22.82
13	A	966	927	2.41
14	A	827	793	71.06
15	A	716	687	12.38
16	A	581	558	258.58
17	A	469	449	3.19
18	A	360	345	50.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.245	-0.195	0.015
C2	0.067	0.424	-0.001
N3	-1.179	-0.168	-0.083
H4	1.327	-1.274	0.019
H5	2.159	0.377	0.006
H6	0.030	1.508	-0.009
H7	-1.207	-1.149	0.140
H8	-1.931	0.342	0.345

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3312	2.4264	1.0826	1.0785	2.0925	2.6347	3.2380
C2	1.3312		1.3822	2.1152	2.0929	1.0844	2.0296	2.0293
N3	2.4264	1.3822		2.7412	3.3839	2.0679	1.0061	1.0045
H4	1.0826	2.1152	2.7412		1.8497	3.0703	2.5405	3.6514
H5	1.0785	2.0929	3.3839	1.8497		2.4114	3.6991	4.1044
H6	2.0925	1.0844	2.0679	3.0703	2.4114		2.9346	2.3083
H7	2.6347	2.0296	1.0061	2.5405	3.6991	2.9346		1.6697
H8	3.2380	2.0293	1.0045	3.6514	4.1044	2.3083	1.6697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.813	C1	C2	H6	119.708
C2	C1	H4	122.055	C2	C1	H5	120.218
C2	N3	H7	115.482	C2	N3	H8	115.572
N3	C2	H6	113.383	H4	C1	H5	117.717
H7	N3	H8	112.294

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.335
2	C	-0.001
3	N	-0.227
4	H	0.085
5	H	0.104
6	H	0.101
7	H	0.136
8	H	0.136

	x	y	z	Total
	-1.360	-0.026	0.899	1.630
CHELPG
AIM
ESP

	x	y	z
x	6.923	-0.471	-0.023
y	-0.471	4.680	-0.001
z	-0.023	-0.001	3.140

<r²>	49.461
(<r²>)^1/2	7.033

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)