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	hartrees
Energy at 0K	-133.211013
Energy at 298.15K	-133.216330
HF Energy	-133.211013
Nuclear repulsion energy	71.373551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3544	20.77
2	A	3467	3428	14.63
3	A	3205	3170	4.52
4	A	3092	3058	0.91
5	A	3086	3052	13.87
6	A	1712	1693	160.08
7	A	1545	1528	30.58
8	A	1360	1345	1.31
9	A	1279	1265	29.07
10	A	1254	1240	10.18
11	A	1062	1051	9.04
12	A	953	943	19.60
13	A	913	903	2.10
14	A	746	738	55.56
15	A	681	673	8.73
16	A	546	540	231.77
17	A	457	452	5.90
18	A	363	359	65.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.251	-0.194	0.017
C2	0.059	0.425	-0.001
N3	-1.177	-0.169	-0.083
H4	1.331	-1.293	0.026
H5	2.179	0.392	-0.005
H6	0.017	1.530	-0.011
H7	-1.198	-1.173	0.122
H8	-1.952	0.336	0.352

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3435	2.4306	1.1025	1.0975	2.1202	2.6397	3.2638
C2	1.3435		1.3742	2.1380	2.1206	1.1054	2.0370	2.0434
N3	2.4306	1.3742		2.7502	3.4040	2.0780	1.0246	1.0219
H4	1.1025	2.1380	2.7502		1.8871	3.1141	2.5330	3.6788
H5	1.0975	2.1206	3.4040	1.8871		2.4436	3.7242	4.1468
H6	2.1202	1.1054	2.0780	3.1141	2.4436		2.9663	2.3309
H7	2.6397	2.0370	1.0246	2.5330	3.7242	2.9663		1.7024
H8	3.2638	2.0434	1.0219	3.6788	4.1468	2.3309	1.7024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.850	C1	C2	H6	119.622
C2	C1	H4	121.560	C2	C1	H5	120.291
C2	N3	H7	115.473	C2	N3	H8	116.260
N3	C2	H6	113.425	H4	C1	H5	118.131
H7	N3	H8	112.582

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: LSDA/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	-0.137
2	C	-0.100
3	N	-0.125
4	H	0.027
5	H	0.049
6	H	0.045
7	H	0.114
8	H	0.126

	x	y	z	Total
	-1.673	-0.096	0.877	1.891
CHELPG
AIM
ESP

	x	y	z
x	6.737	-0.402	-0.063
y	-0.402	4.605	-0.009
z	-0.063	-0.009	2.195

<r²>	49.753
(<r²>)^1/2	7.054

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)