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	hartrees
Energy at 0K	-133.906063
Energy at 298.15K	-133.911512
HF Energy	-133.906063
Nuclear repulsion energy	71.560242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3692	3502	9.61
2	A	3587	3402	8.56
3	A	3294	3124	13.46
4	A	3208	3042	7.80
5	A	3197	3031	13.36
6	A	1764	1673	140.93
7	A	1693	1606	27.49
8	A	1477	1401	1.58
9	A	1356	1286	9.82
10	A	1318	1249	31.31
11	A	1102	1045	12.24
12	A	1017	964	21.87
13	A	974	924	1.81
14	A	816	774	81.78
15	A	737	699	70.04
16	A	631	598	254.99
17	A	472	447	3.96
18	A	359	341	57.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.249	-0.196	0.018
C2	0.067	0.427	-0.002
N3	-1.186	-0.167	-0.090
H4	1.331	-1.279	0.026
H5	2.169	0.374	-0.001
H6	0.025	1.514	-0.017
H7	-1.197	-1.154	0.129
H8	-1.923	0.323	0.395

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3365	2.4372	1.0862	1.0822	2.1028	2.6295	3.2362
C2	1.3365		1.3891	2.1238	2.1032	1.0876	2.0287	2.0316
N3	2.4372	1.3891		2.7539	3.3993	2.0733	1.0110	1.0098
H4	1.0862	2.1238	2.7539		1.8527	3.0833	2.5336	3.6460
H5	1.0822	2.1032	3.3993	1.8527		2.4285	3.6990	4.1117
H6	2.1028	1.0876	2.0733	3.0833	2.4285		2.9385	2.3203
H7	2.6295	2.0287	1.0110	2.5336	3.6990	2.9385		1.6674
H8	3.2362	2.0316	1.0098	3.6460	4.1117	2.3203	1.6674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.789	C1	C2	H6	119.979
C2	C1	H4	122.141	C2	C1	H5	120.447
C2	N3	H7	114.474	C2	N3	H8	114.831
N3	C2	H6	113.109	H4	C1	H5	117.390
H7	N3	H8	111.202

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: mPW1PW91/6-31G*

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	-0.448
2	C	0.056
3	N	-0.764
4	H	0.148
5	H	0.163
6	H	0.167
7	H	0.339
8	H	0.339

	x	y	z	Total
	-1.187	-0.052	1.140	1.647
CHELPG
AIM
ESP

	x	y	z
x	6.253	-0.467	-0.047
y	-0.467	4.160	0.006
z	-0.047	0.006	1.846

<r²>	49.486
(<r²>)^1/2	7.035

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)