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	hartrees
Energy at 0K	-133.868360
Energy at 298.15K	-133.873800
HF Energy	-133.868360
Nuclear repulsion energy	71.637617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3501	9.05
2	A	3582	3401	8.38
3	A	3296	3129	13.95
4	A	3208	3045	7.32
5	A	3197	3035	14.07
6	A	1768	1678	139.49
7	A	1687	1602	28.15
8	A	1472	1397	1.87
9	A	1353	1284	9.24
10	A	1313	1246	31.11
11	A	1100	1044	12.24
12	A	1016	964	20.65
13	A	970	921	1.71
14	A	816	775	76.47
15	A	736	698	69.19
16	A	629	597	250.93
17	A	468	444	4.22
18	A	356	338	57.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.247	-0.195	0.018
C2	0.067	0.427	-0.002
N3	-1.184	-0.167	-0.090
H4	1.329	-1.278	0.026
H5	2.167	0.373	-0.001
H6	0.026	1.513	-0.017
H7	-1.195	-1.153	0.129
H8	-1.920	0.322	0.397

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3345	2.4342	1.0852	1.0812	2.1003	2.6257	3.2320
C2	1.3345		1.3879	2.1208	2.1007	1.0866	2.0264	2.0297
N3	2.4342	1.3879		2.7500	3.3957	2.0713	1.0105	1.0092
H4	1.0852	2.1208	2.7500		1.8513	3.0797	2.5288	3.6406
H5	1.0812	2.1007	3.3957	1.8513		2.4259	3.6943	4.1070
H6	2.1003	1.0866	2.0713	3.0797	2.4259		2.9356	2.3184
H7	2.6257	2.0264	1.0105	2.5288	3.6943	2.9356		1.6658
H8	3.2320	2.0297	1.0092	3.6406	4.1070	2.3184	1.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.786	C1	C2	H6	119.990
C2	C1	H4	122.104	C2	C1	H5	120.461
C2	N3	H7	114.404	C2	N3	H8	114.796
N3	C2	H6	113.101	H4	C1	H5	117.413
H7	N3	H8	111.133

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B1B95/6-31G*

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	-0.421
2	C	0.060
3	N	-0.748
4	H	0.137
5	H	0.152
6	H	0.156
7	H	0.331
8	H	0.332

	x	y	z	Total
	-1.178	-0.055	1.135	1.637
CHELPG
AIM
ESP

	x	y	z
x	6.244	-0.457	-0.054
y	-0.457	4.178	0.005
z	-0.054	0.005	1.843

<r²>	49.402
(<r²>)^1/2	7.029

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)