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	hartrees
Energy at 0K	-133.922956
Energy at 298.15K	-133.928408
HF Energy	-133.922956
Nuclear repulsion energy	71.717171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3544	14.27
2	A	3605	3442	11.39
3	A	3284	3135	9.59
4	A	3192	3047	4.83
5	A	3182	3038	12.16
6	A	1748	1669	139.33
7	A	1657	1582	24.75
8	A	1455	1389	1.23
9	A	1345	1284	9.67
10	A	1302	1243	30.50
11	A	1090	1041	11.88
12	A	1021	975	17.87
13	A	965	921	1.46
14	A	826	788	60.11
15	A	729	696	28.51
16	A	611	583	246.59
17	A	469	448	3.64
18	A	362	345	48.70

Atom	x (Å)	y (Å)	z (Å)
C1	1.247	-0.195	0.016
C2	0.067	0.425	-0.002
N3	-1.183	-0.168	-0.089
H4	1.329	-1.276	0.023
H5	2.165	0.375	0.003
H6	0.025	1.511	-0.012
H7	-1.200	-1.150	0.139
H8	-1.922	0.332	0.377

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3327	2.4318	1.0845	1.0806	2.0983	2.6291	3.2326
C2	1.3327		1.3862	2.1186	2.0981	1.0869	2.0261	2.0273
N3	2.4318	1.3862		2.7479	3.3923	2.0701	1.0080	1.0065
H4	1.0845	2.1186	2.7479		1.8508	3.0775	2.5349	3.6447
H5	1.0806	2.0981	3.3923	1.8508		2.4222	3.6964	4.1043
H6	2.0983	1.0869	2.0701	3.0775	2.4222		2.9334	2.3101
H7	2.6291	2.0261	1.0080	2.5349	3.6964	2.9334		1.6651
H8	3.2326	2.0273	1.0065	3.6447	4.1043	2.3101	1.6651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.856	C1	C2	H6	119.932
C2	C1	H4	122.101	C2	C1	H5	120.416
C2	N3	H7	114.697	C2	N3	H8	114.911
N3	C2	H6	113.101	H4	C1	H5	117.470
H7	N3	H8	111.490

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.430
2	C	0.068
3	N	-0.554
4	H	0.116
5	H	0.134
6	H	0.128
7	H	0.268
8	H	0.269

	x	y	z	Total
	-1.239	-0.039	0.971	1.575
CHELPG
AIM
ESP

	x	y	z
x	6.407	-0.423	-0.051
y	-0.423	4.353	-0.003
z	-0.051	-0.003	2.378

<r²>	49.301
(<r²>)^1/2	7.021

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)