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	hartrees
Energy at 0K	-133.778971
Energy at 298.15K	-133.784432
HF Energy	-133.640513
Nuclear repulsion energy	71.363013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3473	6.31
2	A	3555	3375	6.14
3	A	3295	3128	14.56
4	A	3212	3049	9.51
5	A	3199	3036	11.19
6	A	1751	1662	116.71
7	A	1698	1611	25.47
8	A	1489	1414	1.84
9	A	1362	1293	7.43
10	A	1318	1251	28.95
11	A	1099	1043	9.73
12	A	1015	963	22.82
13	A	977	928	1.83
14	A	808	767	71.78
15	A	759	721	140.35
16	A	650	617	187.48
17	A	472	448	4.22
18	A	354	336	54.63

Atom	x (Å)	y (Å)	z (Å)
C1	1.251	-0.198	0.019
C2	0.069	0.433	-0.002
N3	-1.191	-0.167	-0.095
H4	1.326	-1.281	0.028
H5	2.174	0.365	-0.001
H6	0.028	1.519	-0.018
H7	-1.190	-1.155	0.133
H8	-1.917	0.315	0.420

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3396	2.4445	1.0856	1.0817	2.1076	2.6240	3.2342
C2	1.3396		1.3985	2.1251	2.1062	1.0868	2.0305	2.0339
N3	2.4445	1.3985		2.7547	3.4082	2.0818	1.0136	1.0122
H4	1.0856	2.1251	2.7547		1.8521	3.0858	2.5207	3.6354
H5	1.0817	2.1062	3.4082	1.8521		2.4363	3.6938	4.1133
H6	2.1076	1.0868	2.0818	3.0858	2.4363		2.9417	2.3293
H7	2.6240	2.0305	1.0136	2.5207	3.6938	2.9417		1.6649
H8	3.2342	2.0339	1.0122	3.6354	4.1133	2.3293	1.6649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.434	C1	C2	H6	120.243
C2	C1	H4	122.037	C2	C1	H5	120.517
C2	N3	H7	113.706	C2	N3	H8	114.105
N3	C2	H6	113.183	H4	C1	H5	117.425
H7	N3	H8	110.541

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B2PLYP/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	-0.419
2	C	0.085
3	N	-0.777
4	H	0.137
5	H	0.151
6	H	0.157
7	H	0.333
8	H	0.333

	x	y	z
x	6.208	-0.456	-0.065
y	-0.456	4.173	0.007
z	-0.065	0.007	1.834

<r²>	49.806
(<r²>)^1/2	7.057

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)