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	hartrees
Energy at 0K	-186.546936
Energy at 298.15K
HF Energy	-186.470095
Nuclear repulsion energy	114.841267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3769	0.47
2	A	3574	3574	9.12
3	A	3488	3488	0.03
4	A	1898	1898	1.26
5	A	1838	1838	13.35
6	A	1433	1433	1.84
7	A	1393	1393	0.38
8	A	1119	1119	5.63
9	A	1044	1044	38.32
10	A	940	940	43.77
11	A	552	552	0.05
12	A	320	320	1.14
13	A	272	272	7.08
14	B	3769	3769	9.78
15	B	3571	3571	1.22
16	B	3479	3479	24.17
17	B	1850	1850	7.59
18	B	1510	1510	11.60
19	B	1280	1280	11.38
20	B	1215	1215	1.98
21	B	887	887	394.02
22	B	811	811	14.69
23	B	358	358	62.48
24	B	276	276	39.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.591	0.020
C2	-0.325	-0.591	0.020
N3	-0.325	1.897	-0.126
N4	0.325	-1.897	-0.126
H5	1.423	0.635	0.009
H6	-1.423	-0.635	0.009
H7	-1.337	1.778	0.147
H8	1.337	-1.778	0.147
H9	0.077	2.538	0.609
H10	-0.077	-2.538	0.609

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3494	1.4659	2.4919	1.0986	2.1354	2.0464	2.5793	2.0494	3.2095
C2	1.3494		2.4919	1.4659	2.1354	1.0986	2.5793	2.0464	3.2095	2.0494
N3	1.4659	2.4919		3.8486	2.1602	2.7626	1.0541	4.0425	1.0551	4.5021
N4	2.4919	1.4659	3.8486		2.7626	2.1602	4.0425	1.0541	4.5021	1.0551
H5	1.0986	2.1354	2.1602	2.7626		3.1164	2.9902	2.4188	2.4070	3.5605
H6	2.1354	1.0986	2.7626	2.1602	3.1164		2.4188	2.9902	3.5605	2.4070
H7	2.0464	2.5793	1.0541	4.0425	2.9902	2.4188		4.4492	1.6697	4.5202
H8	2.5793	2.0464	4.0425	1.0541	2.4188	2.9902	4.4492		4.5202	1.6697
H9	2.0494	3.2095	1.0551	4.5021	2.4070	3.5605	1.6697	4.5202		5.0786
H10	3.2095	2.0494	4.5021	1.0551	3.5605	2.4070	4.5202	1.6697	5.0786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.487	C1	C2	H6	121.117
C1	N3	H7	107.466	C1	N3	H9	107.653
C2	C1	N3	124.487	C2	C1	H5	121.117
C2	N4	H8	107.466	C2	N4	H10	107.653
N3	C1	H5	114.014	N4	C2	H6	114.014
H7	N3	H9	104.682	H8	N4	H10	104.682

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/STO-3G

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	-0.032
2	C	-0.032
3	N	-0.352
4	N	-0.352
5	H	0.064
6	H	0.064
7	H	0.160
8	H	0.160
9	H	0.161
10	H	0.161

	x	y	z	Total
	0.000	0.000	2.871	2.871
CHELPG
AIM
ESP

	x	y	z
x	3.188	0.085	0.000
y	0.085	5.813	0.000
z	0.000	0.000	0.938

<r²>	100.152
(<r²>)^1/2	10.008

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)