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	hartrees
Energy at 0K	-133.925787
Energy at 298.15K	-133.931217
HF Energy	-133.925787
Nuclear repulsion energy	71.934909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3544	15.99
2	A	3596	3442	13.40
3	A	3271	3131	11.34
4	A	3181	3045	7.18
5	A	3170	3034	9.99
6	A	1735	1660	166.95
7	A	1650	1579	24.57
8	A	1452	1390	1.61
9	A	1338	1281	10.09
10	A	1297	1241	40.09
11	A	1084	1038	15.30
12	A	1012	969	22.29
13	A	963	922	2.35
14	A	828	792	68.89
15	A	715	685	12.26
16	A	580	555	256.93
17	A	465	445	3.38
18	A	359	343	50.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.244	-0.195	0.015
C2	0.067	0.424	-0.001
N3	-1.177	-0.168	-0.083
H4	1.323	-1.273	0.019
H5	2.157	0.375	0.006
H6	0.030	1.506	-0.010
H7	-1.205	-1.148	0.138
H8	-1.929	0.340	0.346

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3292	2.4230	1.0809	1.0767	2.0897	2.6303	3.2340
C2	1.3292		1.3810	2.1112	2.0897	1.0825	2.0274	2.0279
N3	2.4230	1.3810		2.7356	3.3791	2.0654	1.0051	1.0034
H4	1.0809	2.1112	2.7356		1.8472	3.0652	2.5339	3.6444
H5	1.0767	2.0897	3.3791	1.8472		2.4085	3.6931	4.0996
H6	2.0897	1.0825	2.0654	3.0652	2.4085		2.9311	2.3073
H7	2.6303	2.0274	1.0051	2.5339	3.6931	2.9311		1.6676
H8	3.2340	2.0279	1.0034	3.6444	4.0996	2.3073	1.6676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.761	C1	C2	H6	119.751
C2	C1	H4	121.989	C2	C1	H5	120.227
C2	N3	H7	115.459	C2	N3	H8	115.623
N3	C2	H6	113.389	H4	C1	H5	117.775
H7	N3	H8	112.253

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B1B95/cc-pVTZ

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	-0.402
2	C	-0.012
3	N	-0.275
4	H	0.113
5	H	0.130
6	H	0.130
7	H	0.158
8	H	0.157

	x	y	z	Total
	-1.344	-0.024	0.896	1.616
CHELPG
AIM
ESP

	x	y	z
x	6.909	-0.464	-0.026
y	-0.464	4.688	-0.001
z	-0.026	-0.001	3.118

<r²>	49.363
(<r²>)^1/2	7.026

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)