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	hartrees
Energy at 0K	-133.875899
Energy at 298.15K	-133.881274
HF Energy	-133.875899
Nuclear repulsion energy	70.770385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3500	3472	1.15
2	A	3404	3376	1.17
3	A	3174	3148	18.95
4	A	3088	3063	4.22
5	A	3084	3059	22.41
6	A	1681	1668	109.79
7	A	1636	1622	20.77
8	A	1436	1424	1.99
9	A	1315	1305	7.80
10	A	1267	1257	24.39
11	A	1059	1050	7.84
12	A	969	962	20.17
13	A	940	932	2.09
14	A	758	752	60.83
15	A	723	717	126.60
16	A	627	622	171.74
17	A	460	456	4.42
18	A	356	353	49.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.266	-0.197	0.019
C2	0.069	0.432	-0.001
N3	-1.202	-0.168	-0.092
H4	1.354	-1.288	0.030
H5	2.195	0.374	-0.006
H6	0.021	1.527	-0.021
H7	-1.214	-1.167	0.122
H8	-1.947	0.322	0.407

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3518	2.4708	1.0951	1.0910	2.1264	2.6653	3.2770
C2	1.3518		1.4087	2.1469	2.1269	1.0965	2.0541	2.0595
N3	2.4708	1.4087		2.7934	3.4416	2.0917	1.0221	1.0211
H4	1.0951	2.1469	2.7934		1.8636	3.1150	2.5725	3.6913
H5	1.0910	2.1269	3.4416	1.8636		2.4607	3.7440	4.1627
H6	2.1264	1.0965	2.0917	3.1150	2.4607		2.9676	2.3470
H7	2.6653	2.0541	1.0221	2.5725	3.7440	2.9676		1.6836
H8	3.2770	2.0595	1.0211	3.6913	4.1627	2.3470	1.6836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.019	C1	C2	H6	120.213
C2	C1	H4	122.310	C2	C1	H5	120.703
C2	N3	H7	114.409	C2	N3	H8	114.973
N3	C2	H6	112.623	H4	C1	H5	116.961
H7	N3	H8	110.981

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: BLYP/6-31G*

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	-0.337
2	C	0.084
3	N	-0.663
4	H	0.098
5	H	0.113
6	H	0.111
7	H	0.296
8	H	0.298

	x	y	z	Total
	-1.172	-0.098	1.120	1.624
CHELPG
AIM
ESP

	x	y	z
x	6.526	-0.414	-0.083
y	-0.414	4.355	0.007
z	-0.083	0.007	1.881

<r²>	50.458
(<r²>)^1/2	7.103

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)