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	hartrees
Energy at 0K	-133.965962
Energy at 298.15K	-133.971345
HF Energy	-133.965962
Nuclear repulsion energy	71.267731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3528	14.33
2	A	3553	3419	9.77
3	A	3264	3142	15.04
4	A	3182	3062	10.01
5	A	3165	3046	11.20
6	A	1712	1648	185.39
7	A	1661	1599	23.70
8	A	1464	1409	3.38
9	A	1341	1291	14.67
10	A	1288	1239	45.22
11	A	1072	1032	16.91
12	A	998	961	31.78
13	A	959	923	3.66
14	A	807	777	83.43
15	A	700	674	12.48
16	A	582	560	293.03
17	A	460	442	2.84
18	A	349	336	57.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.258	-0.197	0.018
C2	0.069	0.432	-0.000
N3	-1.194	-0.168	-0.088
H4	1.342	-1.281	0.028
H5	2.180	0.371	-0.004
H6	0.024	1.519	-0.022
H7	-1.210	-1.161	0.119
H8	-1.939	0.324	0.391

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3451	2.4538	1.0875	1.0835	2.1138	2.6517	3.2604
C2	1.3451		1.4006	2.1347	2.1122	1.0882	2.0466	2.0485
N3	2.4538	1.4006		2.7717	3.4176	2.0817	1.0145	1.0134
H4	1.0875	2.1347	2.7717		1.8529	3.0953	2.5569	3.6707
H5	1.0835	2.1122	3.4176	1.8529		2.4427	3.7227	4.1385
H6	2.1138	1.0882	2.0817	3.0953	2.4427		2.9542	2.3353
H7	2.6517	2.0466	1.0145	2.5569	3.7227	2.9542		1.6762
H8	3.2604	2.0485	1.0134	3.6707	4.1385	2.3353	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.669	C1	C2	H6	120.249
C2	C1	H4	122.332	C2	C1	H5	120.464
C2	N3	H7	114.927	C2	N3	H8	115.179
N3	C2	H6	112.929	H4	C1	H5	117.184
H7	N3	H8	111.501

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: TPSSh/6-31+G**

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	-0.398
2	C	-0.068
3	N	-0.545
4	H	0.131
5	H	0.146
6	H	0.145
7	H	0.295
8	H	0.295

	x	y	z	Total
	-1.307	-0.034	0.991	1.641
CHELPG
AIM
ESP

	x	y	z
x	7.262	-0.589	0.095
y	-0.589	4.624	-0.003
z	0.095	-0.003	3.845

<r²>	50.355
(<r²>)^1/2	7.096

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)