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	hartrees
Energy at 0K	-133.795500
Energy at 298.15K	-133.800856
HF Energy	-133.795500
Nuclear repulsion energy	71.114765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3567	3530	3.24
2	A	3465	3429	2.92
3	A	3171	3138	17.79
4	A	3082	3050	10.63
5	A	3073	3041	15.86
6	A	1683	1665	149.06
7	A	1641	1624	25.87
8	A	1412	1398	1.07
9	A	1305	1291	15.43
10	A	1270	1257	24.50
11	A	1063	1052	11.17
12	A	959	949	24.55
13	A	936	926	6.90
14	A	741	733	77.06
15	A	691	684	37.74
16	A	602	596	270.37
17	A	460	455	3.57
18	A	358	355	52.76

Atom	x (Å)	y (Å)	z (Å)
C1	1.258	-0.195	0.018
C2	0.065	0.427	0.001
N3	-1.192	-0.169	-0.089
H4	1.347	-1.286	0.027
H5	2.183	0.382	-0.010
H6	0.022	1.522	-0.017
H7	-1.210	-1.163	0.129
H8	-1.941	0.331	0.382

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3459	2.4528	1.0944	1.0898	2.1165	2.6541	3.2631
C2	1.3459		1.3941	2.1397	2.1181	1.0961	2.0429	2.0446
N3	2.4528	1.3941		2.7763	3.4201	2.0830	1.0186	1.0169
H4	1.0944	2.1397	2.7763		1.8654	3.1054	2.5623	3.6815
H5	1.0898	2.1181	3.4201	1.8654		2.4433	3.7308	4.1429
H6	2.1165	1.0961	2.0830	3.1054	2.4433		2.9587	2.3309
H7	2.6541	2.0429	1.0186	2.5623	3.7308	2.9587		1.6830
H8	3.2631	2.0446	1.0169	3.6815	4.1429	2.3309	1.6830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.057	C1	C2	H6	119.798
C2	C1	H4	122.190	C2	C1	H5	120.466
C2	N3	H7	114.826	C2	N3	H8	115.102
N3	C2	H6	112.997	H4	C1	H5	117.315
H7	N3	H8	111.548

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: PBEPBE/6-311G*

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	-0.518
2	C	-0.006
3	N	-0.710
4	H	0.187
5	H	0.200
6	H	0.195
7	H	0.326
8	H	0.326

	x	y	z	Total
	-1.406	-0.081	1.047	1.755
CHELPG
AIM
ESP

	x	y	z
x	6.827	-0.463	-0.037
y	-0.463	4.534	-0.003
z	-0.037	-0.003	2.526

<r²>	50.301
(<r²>)^1/2	7.092

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)