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	hartrees
Energy at 0K	-133.950536
Energy at 298.15K	-133.955958
HF Energy	-133.950536
Nuclear repulsion energy	71.732351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3681	3540	15.47
2	A	3576	3438	12.57
3	A	3249	3125	10.49
4	A	3160	3038	6.83
5	A	3150	3029	9.74
6	A	1718	1652	165.39
7	A	1645	1582	23.03
8	A	1448	1392	1.38
9	A	1334	1283	11.17
10	A	1292	1242	39.27
11	A	1079	1037	14.97
12	A	1005	967	23.28
13	A	962	925	2.51
14	A	819	787	69.65
15	A	710	683	11.41
16	A	577	555	258.27
17	A	467	449	3.10
18	A	360	346	49.77

Atom	x (Å)	y (Å)	z (Å)
C1	1.248	-0.195	0.015
C2	0.067	0.424	-0.001
N3	-1.181	-0.169	-0.083
H4	1.331	-1.276	0.019
H5	2.163	0.378	0.005
H6	0.029	1.509	-0.009
H7	-1.211	-1.151	0.140
H8	-1.935	0.343	0.343

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.3332	2.4305	1.0839	1.0798	2.0955	2.6410	3.2443
C2	1.3332		1.3841	2.1186	2.0959	1.0857	2.0336	2.0330
N3	2.4305	1.3841		2.7468	3.3889	2.0700	1.0077	1.0061
H4	1.0839	2.1186	2.7468		1.8513	3.0747	2.5482	3.6595
H5	1.0798	2.0959	3.3889	1.8513		2.4150	3.7065	4.1115
H6	2.0955	1.0857	2.0700	3.0747	2.4150		2.9389	2.3109
H7	2.6410	2.0336	1.0077	2.5482	3.7065	2.9389		1.6724
H8	3.2443	2.0330	1.0061	3.6595	4.1115	2.3109	1.6724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	126.858	C1	C2	H6	119.714
C2	C1	H4	122.106	C2	C1	H5	120.223
C2	N3	H7	115.578	C2	N3	H8	115.633
N3	C2	H6	113.331	H4	C1	H5	117.661
H7	N3	H8	112.293

All results from a given calculation for CH₂CHNH₂ (aminoethene)

using model chemistry: B3PW91/cc-pVTZ

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	-0.352
2	C	-0.002
3	N	-0.237
4	H	0.092
5	H	0.110
6	H	0.107
7	H	0.141
8	H	0.141

	x	y	z	Total
	-1.376	-0.030	0.892	1.640
CHELPG
AIM
ESP

	x	y	z
x	6.979	-0.466	-0.022
y	-0.466	4.710	-0.001
z	-0.022	-0.001	3.148

<r²>	49.593
(<r²>)^1/2	7.042

All results from a given calculation for CH2CHNH2 (aminoethene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHNH₂ (aminoethene)