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	hartrees
Energy at 0K	-133.911623
Energy at 298.15K	-133.916992
HF Energy	-133.911623
Nuclear repulsion energy	71.446790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3569	22.75
2	A	3600	3456	16.65
3	A	3274	3143	10.94
4	A	3186	3059	8.47
5	A	3172	3046	9.67
6	A	1724	1655	203.76
7	A	1654	1588	28.04
8	A	1450	1392	2.05
9	A	1336	1283	16.50
10	A	1290	1239	46.40
11	A	1079	1036	18.58
12	A	998	958	28.42
13	A	960	922	3.01
14	A	812	780	87.91
15	A	698	671	7.15
16	A	550	528	287.81
17	A	465	447	2.60
18	A	351	337	63.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.254	-0.196	0.015
C2	0.066	0.428	-0.000
N3	-1.183	-0.170	-0.078
H4	1.340	-1.279	0.019
H5	2.171	0.380	0.003
H6	0.025	1.515	-0.012
H7	-1.219	-1.159	0.126
H8	-1.952	0.342	0.327

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3418	2.4394	1.0871	1.0832	2.1073	2.6562	3.2658
C2	1.3418		1.3874	2.1302	2.1058	1.0885	2.0456	2.0462
N3	2.4394	1.3874		2.7580	3.4005	2.0749	1.0102	1.0086
H4	1.0871	2.1302	2.7580		1.8564	3.0891	2.5638	3.6824
H5	1.0832	2.1058	3.4005	1.8564		2.4283	3.7252	4.1362
H6	2.1073	1.0885	2.0749	3.0891	2.4283		2.9526	2.3236
H7	2.6562	2.0456	1.0102	2.5638	3.7252	2.9526		1.6824
H8	3.2658	2.0462	1.0086	3.6824	4.1362	2.3236	1.6824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.704	C1	C2	H6	119.879
C2	C1	H4	122.221	C2	C1	H5	120.158
C2	N3	H7	116.238	C2	N3	H8	116.415
N3	C2	H6	113.318	H4	C1	H5	117.609
H7	N3	H8	112.895

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3PW91/6-31+G**

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	-0.403
2	C	-0.069
3	N	-0.551
4	H	0.133
5	H	0.148
6	H	0.146
7	H	0.298
8	H	0.298

	x	y	z	Total
	-1.378	-0.024	0.948	1.673
CHELPG
AIM
ESP

	x	y	z
x	7.158	-0.592	0.093
y	-0.592	4.566	-0.006
z	0.093	-0.006	3.771

<r²>	50.123
(<r²>)^1/2	7.080

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)