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	hartrees
Energy at 0K	-133.827524
Energy at 298.15K	-133.832855
HF Energy	-133.827524
Nuclear repulsion energy	71.274164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3541	12.95
2	A	3479	3437	9.15
3	A	3184	3145	9.51
4	A	3088	3050	5.31
5	A	3083	3045	11.69
6	A	1662	1642	161.15
7	A	1594	1575	20.80
8	A	1403	1386	1.37
9	A	1295	1280	13.48
10	A	1255	1240	32.92
11	A	1050	1038	12.89
12	A	962	951	23.74
13	A	931	920	3.24
14	A	769	760	60.45
15	A	680	672	10.26
16	A	560	553	252.24
17	A	456	450	2.78
18	A	357	353	47.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.256	-0.196	0.018
C2	0.068	0.430	-0.000
N3	-1.192	-0.168	-0.089
H4	1.339	-1.285	0.028
H5	2.181	0.374	-0.003
H6	0.025	1.522	-0.020
H7	-1.207	-1.163	0.124
H8	-1.939	0.327	0.389

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3428	2.4497	1.0915	1.0872	2.1145	2.6473	3.2585
C2	1.3428		1.3974	2.1344	2.1138	1.0932	2.0439	2.0472
N3	2.4497	1.3974		2.7681	3.4171	2.0836	1.0171	1.0156
H4	1.0915	2.1344	2.7681		1.8604	3.0998	2.5502	3.6703
H5	1.0872	2.1138	3.4171	1.8604		2.4435	3.7222	4.1391
H6	2.1145	1.0932	2.0836	3.0998	2.4435		2.9573	2.3350
H7	2.6473	2.0439	1.0171	2.5502	3.7222	2.9573		1.6806
H8	3.2585	2.0472	1.0156	3.6703	4.1391	2.3350	1.6806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.751	C1	C2	H6	120.107
C2	C1	H4	122.181	C2	C1	H5	120.525
C2	N3	H7	114.758	C2	N3	H8	115.157
N3	C2	H6	112.996	H4	C1	H5	117.276
H7	N3	H8	111.541

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.266
2	C	0.001
3	N	-0.275
4	H	0.054
5	H	0.084
6	H	0.082
7	H	0.158
8	H	0.161

	x	y	z	Total
	-1.436	-0.057	0.858	1.674
CHELPG
AIM
ESP

	x	y	z
x	7.433	-0.442	-0.005
y	-0.442	4.969	-0.011
z	-0.005	-0.011	3.670

<r²>	50.281
(<r²>)^1/2	7.091

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)