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	hartrees
Energy at 0K	-133.923711
Energy at 298.15K	-133.929136
HF Energy	-133.923711
Nuclear repulsion energy	71.568616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3677	3540	6.47
2	A	3575	3441	6.39
3	A	3243	3122	17.64
4	A	3161	3043	11.87
5	A	3146	3029	12.50
6	A	1736	1672	165.22
7	A	1691	1628	26.83
8	A	1457	1403	1.15
9	A	1342	1292	13.38
10	A	1306	1257	34.02
11	A	1090	1049	14.37
12	A	1000	963	27.74
13	A	968	932	3.02
14	A	796	766	86.22
15	A	715	688	29.33
16	A	607	584	293.16
17	A	470	452	3.32
18	A	358	345	58.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.250	-0.195	0.017
C2	0.067	0.425	-0.001
N3	-1.185	-0.167	-0.086
H4	1.338	-1.278	0.024
H5	2.169	0.378	-0.002
H6	0.027	1.512	-0.016
H7	-1.209	-1.154	0.127
H8	-1.931	0.334	0.371

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3362	2.4380	1.0869	1.0827	2.1003	2.6423	3.2444
C2	1.3362		1.3873	2.1252	2.1031	1.0883	2.0337	2.0340
N3	2.4380	1.3873		2.7591	3.3994	2.0724	1.0096	1.0082
H4	1.0869	2.1252	2.7591		1.8528	3.0831	2.5524	3.6613
H5	1.0827	2.1031	3.3994	1.8528		2.4241	3.7116	4.1174
H6	2.1003	1.0883	2.0724	3.0831	2.4241		2.9422	2.3178
H7	2.6423	2.0337	1.0096	2.5524	3.7116	2.9422		1.6715
H8	3.2444	2.0340	1.0082	3.6613	4.1174	2.3178	1.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.048	C1	C2	H6	119.711
C2	C1	H4	122.245	C2	C1	H5	120.432
C2	N3	H7	115.183	C2	N3	H8	115.314
N3	C2	H6	113.122	H4	C1	H5	117.300
H7	N3	H8	111.868

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3PW91/6-311G*

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	-0.546
2	C	0.006
3	N	-0.752
4	H	0.200
5	H	0.211
6	H	0.207
7	H	0.337
8	H	0.336

	x	y	z	Total
	-1.343	-0.047	1.065	1.715
CHELPG
AIM
ESP

	x	y	z
x	6.579	-0.518	-0.023
y	-0.518	4.356	-0.001
z	-0.023	-0.001	2.478

<r²>	49.736
(<r²>)^1/2	7.052

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)