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	hartrees
Energy at 0K	-133.881896
Energy at 298.15K	-133.887347
HF Energy	-133.881896
Nuclear repulsion energy	71.520732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3532	12.02
2	A	3568	3430	9.66
3	A	3289	3161	10.32
4	A	3191	3067	6.09
5	A	3178	3054	11.90
6	A	1753	1685	147.51
7	A	1632	1568	23.09
8	A	1429	1374	1.75
9	A	1331	1279	13.17
10	A	1298	1248	30.82
11	A	1093	1050	12.68
12	A	1007	968	20.11
13	A	958	921	1.83
14	A	809	778	60.94
15	A	729	701	48.44
16	A	619	595	223.31
17	A	468	450	3.91
18	A	361	347	51.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.249	-0.196	0.018
C2	0.065	0.426	-0.002
N3	-1.185	-0.167	-0.093
H4	1.328	-1.284	0.026
H5	2.170	0.381	0.001
H6	0.027	1.518	-0.013
H7	-1.195	-1.153	0.141
H8	-1.918	0.326	0.403

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3374	2.4369	1.0911	1.0870	2.1052	2.6281	3.2323
C2	1.3374		1.3864	2.1258	2.1060	1.0932	2.0252	2.0258
N3	2.4369	1.3864		2.7530	3.4013	2.0771	1.0138	1.0125
H4	1.0911	2.1258	2.7530		1.8659	3.0897	2.5295	3.6426
H5	1.0870	2.1060	3.4013	1.8659		2.4266	3.7015	4.1081
H6	2.1052	1.0932	2.0771	3.0897	2.4266		2.9416	2.3183
H7	2.6281	2.0252	1.0138	2.5295	3.7015	2.9416		1.6667
H8	3.2323	2.0258	1.0125	3.6426	4.1081	2.3183	1.6667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.922	C1	C2	H6	119.692
C2	C1	H4	121.848	C2	C1	H5	120.248
C2	N3	H7	114.178	C2	N3	H8	114.322
N3	C2	H6	113.262	H4	C1	H5	117.887
H7	N3	H8	110.679

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B1B95/cc-pVDZ

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	-0.069
2	C	-0.039
3	N	-0.131
4	H	0.005
5	H	0.024
6	H	0.019
7	H	0.091
8	H	0.101

	x	y	z	Total
	-1.332	-0.055	1.006	1.670
CHELPG
AIM
ESP

	x	y	z
x	6.503	-0.470	-0.073
y	-0.470	4.408	-0.005
z	-0.073	-0.005	2.199

<r²>	49.591
(<r²>)^1/2	7.042

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)