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	hartrees
Energy at 0K	-133.895705
Energy at 298.15K	-133.901096
HF Energy	-133.895705
Nuclear repulsion energy	71.566091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3556	19.77
2	A	3597	3445	14.53
3	A	3290	3152	10.16
4	A	3200	3065	7.07
5	A	3182	3048	7.82
6	A	1735	1662	190.05
7	A	1635	1566	24.06
8	A	1437	1377	1.97
9	A	1330	1274	12.34
10	A	1287	1233	42.49
11	A	1081	1036	16.70
12	A	1000	958	24.50
13	A	955	915	3.06
14	A	833	798	67.05
15	A	704	674	7.08
16	A	551	528	244.22
17	A	461	442	2.90
18	A	350	335	52.94

Atom	x (Å)	y (Å)	z (Å)
C1	1.250	-0.196	0.014
C2	0.066	0.427	0.000
N3	-1.181	-0.170	-0.082
H4	1.332	-1.282	0.018
H5	2.168	0.381	0.006
H6	0.027	1.516	-0.009
H7	-1.213	-1.154	0.140
H8	-1.942	0.342	0.335

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3381	2.4333	1.0886	1.0846	2.1043	2.6454	3.2534
C2	1.3381		1.3851	2.1267	2.1028	1.0900	2.0382	2.0378
N3	2.4333	1.3851		2.7499	3.3956	2.0758	1.0093	1.0076
H4	1.0886	2.1267	2.7499		1.8612	3.0873	2.5507	3.6687
H5	1.0846	2.1028	3.3956	1.8612		2.4234	3.7155	4.1240
H6	2.1043	1.0900	2.0758	3.0873	2.4234		2.9480	2.3188
H7	2.6454	2.0382	1.0093	2.5507	3.7155	2.9480		1.6762
H8	3.2534	2.0378	1.0076	3.6687	4.1240	2.3188	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.632	C1	C2	H6	119.792
C2	C1	H4	122.076	C2	C1	H5	120.082
C2	N3	H7	115.803	C2	N3	H8	115.896
N3	C2	H6	113.470	H4	C1	H5	117.835
H7	N3	H8	112.420

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B1B95/aug-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	0.771
2	C	0.908
3	N	-0.105
4	H	-0.496
5	H	-0.432
6	H	-0.513
7	H	-0.084
8	H	-0.050

	x	y	z	Total
	-1.305	-0.035	0.881	1.575
CHELPG
AIM
ESP

	x	y	z
x	7.618	-0.416	0.040
y	-0.416	5.137	-0.011
z	0.040	-0.011	4.360

<r²>	49.989
(<r²>)^1/2	7.070

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)