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	hartrees
Energy at 0K	-133.773140
Energy at 298.15K	-133.778500
HF Energy	-133.773140
Nuclear repulsion energy	71.034090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3583	3534	5.99
2	A	3473	3425	4.26
3	A	3202	3158	12.46
4	A	3105	3062	0.46
5	A	3099	3057	20.61
6	A	1690	1667	125.43
7	A	1605	1583	23.81
8	A	1412	1393	1.47
9	A	1304	1286	11.33
10	A	1263	1246	23.44
11	A	1060	1046	9.50
12	A	967	953	20.55
13	A	932	919	2.20
14	A	755	744	61.58
15	A	699	689	47.12
16	A	603	595	243.43
17	A	459	453	4.13
18	A	359	354	51.96

Atom	x (Å)	y (Å)	z (Å)
C1	1.259	-0.196	0.018
C2	0.065	0.431	0.000
N3	-1.193	-0.169	-0.092
H4	1.342	-1.287	0.030
H5	2.185	0.379	-0.008
H6	0.021	1.526	-0.016
H7	-1.201	-1.164	0.130
H8	-1.937	0.323	0.399

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3485	2.4547	1.0944	1.0903	2.1217	2.6454	3.2604
C2	1.3485		1.3968	2.1410	2.1205	1.0968	2.0401	2.0445
N3	2.4547	1.3968		2.7740	3.4232	2.0865	1.0200	1.0186
H4	1.0944	2.1410	2.7740		1.8673	3.1090	2.5479	3.6724
H5	1.0903	2.1205	3.4232	1.8673		2.4496	3.7230	4.1426
H6	2.1217	1.0968	2.0865	3.1090	2.4496		2.9585	2.3354
H7	2.6454	2.0401	1.0200	2.5479	3.7230	2.9585		1.6816
H8	3.2604	2.0445	1.0186	3.6724	4.1426	2.3354	1.6816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.788	C1	C2	H6	120.020
C2	C1	H4	122.083	C2	C1	H5	120.431
C2	N3	H7	114.260	C2	N3	H8	114.754
N3	C2	H6	113.047	H4	C1	H5	117.462
H7	N3	H8	111.156

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: PBEPBE/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	-0.308
2	C	0.078
3	N	-0.581
4	H	0.086
5	H	0.102
6	H	0.104
7	H	0.258
8	H	0.260

	x	y	z	Total
	-1.295	-0.097	1.057	1.675
CHELPG
AIM
ESP

	x	y	z
x	6.559	-0.406	-0.068
y	-0.406	4.382	0.005
z	-0.068	0.005	1.941

<r²>	50.084
(<r²>)^1/2	7.077

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)