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	hartrees
Energy at 0K	-133.174303
Energy at 298.15K	-133.179507
HF Energy	-133.174303
Nuclear repulsion energy	71.549873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3736	3567	32.93
2	A	3612	3448	38.76
3	A	3292	3143	12.91
4	A	3199	3054	1.19
5	A	3190	3045	15.99
6	A	1735	1656	205.95
7	A	1707	1630	27.72
8	A	1514	1445	0.93
9	A	1379	1317	17.65
10	A	1314	1255	45.72
11	A	1081	1032	25.01
12	A	1033	986	20.96
13	A	997	952	2.32
14	A	840	802	134.10
15	A	715	682	3.99
16	A	468	446	2.33
17	A	465	443	118.75
18	A	234	224	264.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.259	-0.192	-0.000
C2	0.067	0.420	-0.000
N3	-1.176	-0.171	0.000
H4	1.354	-1.272	-0.000
H5	2.172	0.387	0.001
H6	0.029	1.506	0.000
H7	-1.269	-1.175	0.001
H8	-2.015	0.385	-0.001

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3400	2.4351	1.0843	1.0807	2.0972	2.7132	3.3248
C2	1.3400		1.3762	2.1256	2.1047	1.0867	2.0812	2.0826
N3	2.4351	1.3762		2.7588	3.3936	2.0643	1.0090	1.0066
H4	1.0843	2.1256	2.7588		1.8502	3.0781	2.6248	3.7543
H5	1.0807	2.1047	3.3936	1.8502		2.4176	3.7792	4.1867
H6	2.0972	1.0867	2.0643	3.0781	2.4176		2.9789	2.3307
H7	2.7132	2.0812	1.0090	2.6248	3.7792	2.9789		1.7294
H8	3.3248	2.0826	1.0066	3.7543	4.1867	2.3307	1.7294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.409	C1	C2	H6	119.220
C2	C1	H4	122.165	C2	C1	H5	120.411
C2	N3	H7	120.744	C2	N3	H8	121.072
N3	C2	H6	113.372	H4	C1	H5	117.424
H7	N3	H8	118.184

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: mPW1PW91/3-21G

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	-0.505
2	C	0.055
3	N	-0.797
4	H	0.183
5	H	0.196
6	H	0.221
7	H	0.323
8	H	0.324

	x	y	z	Total
	-1.976	0.042	0.000	1.976
CHELPG
AIM
ESP

	x	y	z
x	5.956	-0.452	0.000
y	-0.452	3.824	0.000
z	0.000	0.000	1.110

<r²>	49.664
(<r²>)^1/2	7.047

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)