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	hartrees
Energy at 0K	-133.904932
Energy at 298.15K	-133.910378
HF Energy	-133.904932
Nuclear repulsion energy	71.309220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3523	11.57
2	A	3545	3421	8.84
3	A	3266	3152	10.14
4	A	3170	3059	6.26
5	A	3157	3047	11.68
6	A	1734	1673	144.96
7	A	1628	1571	21.86
8	A	1427	1377	1.47
9	A	1327	1281	13.58
10	A	1293	1248	30.21
11	A	1087	1049	12.26
12	A	1000	965	21.30
13	A	956	923	2.00
14	A	800	772	62.65
15	A	724	698	47.98
16	A	618	596	225.67
17	A	470	453	3.53
18	A	364	351	50.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.253	-0.196	0.018
C2	0.065	0.427	-0.001
N3	-1.189	-0.168	-0.093
H4	1.336	-1.287	0.026
H5	2.177	0.383	-0.000
H6	0.025	1.522	-0.013
H7	-1.201	-1.157	0.142
H8	-1.924	0.328	0.400

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3419	2.4446	1.0939	1.0900	2.1117	2.6383	3.2433
C2	1.3419		1.3900	2.1334	2.1125	1.0961	2.0317	2.0316
N3	2.4446	1.3900		2.7638	3.4113	2.0821	1.0165	1.0152
H4	1.0939	2.1334	2.7638		1.8697	3.0994	2.5425	3.6573
H5	1.0900	2.1125	3.4113	1.8697		2.4341	3.7145	4.1210
H6	2.1117	1.0961	2.0821	3.0994	2.4341		2.9498	2.3235
H7	2.6383	2.0317	1.0165	2.5425	3.7145	2.9498		1.6716
H8	3.2433	2.0316	1.0152	3.6573	4.1210	2.3235	1.6716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.963	C1	C2	H6	119.688
C2	C1	H4	121.961	C2	C1	H5	120.255
C2	N3	H7	114.290	C2	N3	H8	114.368
N3	C2	H6	113.221	H4	C1	H5	117.767
H7	N3	H8	110.727

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3PW91/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	-0.100
2	C	-0.047
3	N	-0.141
4	H	0.018
5	H	0.036
6	H	0.031
7	H	0.097
8	H	0.106

	x	y	z	Total
	-1.359	-0.060	1.002	1.689
CHELPG
AIM
ESP

	x	y	z
x	6.564	-0.473	-0.069
y	-0.473	4.420	-0.005
z	-0.069	-0.005	2.206

<r²>	49.826
(<r²>)^1/2	7.059

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)