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	hartrees
Energy at 0K	-189.119821
Energy at 298.15K
HF Energy	-189.119821
Nuclear repulsion energy	117.531751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3499	2.34
2	A	3534	3400	0.14
3	A	3167	3048	0.07
4	A	1776	1709	0.66
5	A	1625	1563	17.89
6	A	1325	1275	0.50
7	A	1284	1235	0.01
8	A	1038	999	0.02
9	A	930	895	69.34
10	A	778	748	128.44
11	A	554	533	2.32
12	A	328	315	3.49
13	A	245	236	15.96
14	B	3635	3498	8.31
15	B	3532	3398	3.04
16	B	3171	3051	46.61
17	B	1633	1571	55.08
18	B	1381	1329	11.21
19	B	1196	1151	131.44
20	B	1117	1075	1.26
21	B	819	788	58.31
22	B	721	694	290.10
23	B	343	330	35.60
24	B	250	240	97.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.036
C2	-0.312	-0.593	0.036
N3	-0.312	1.848	-0.109
N4	0.312	-1.848	-0.109
H5	1.406	0.636	0.038
H6	-1.406	-0.636	0.038
H7	-1.324	1.789	-0.057
H8	1.324	-1.789	-0.057
H9	0.015	2.531	0.565
H10	-0.015	-2.531	0.565

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3405	1.4094	2.4451	1.0941	2.1126	2.0291	2.5896	2.0311	3.1857
C2	1.3405		2.4451	1.4094	2.1126	1.0941	2.5896	2.0291	3.1857	2.0311
N3	1.4094	2.4451		3.7481	2.1076	2.7179	1.0144	3.9885	1.0145	4.4408
N4	2.4451	1.4094	3.7481		2.7179	2.1076	3.9885	1.0144	4.4408	1.0145
H5	1.0941	2.1126	2.1076	2.7179		3.0859	2.9646	2.4286	2.4089	3.5116
H6	2.1126	1.0941	2.7179	2.1076	3.0859		2.4286	2.9646	3.5116	2.4089
H7	2.0291	2.5896	1.0144	3.9885	2.9646	2.4286		4.4514	1.6526	4.5570
H8	2.5896	2.0291	3.9885	1.0144	2.4286	2.9646	4.4514		4.5570	1.6526
H9	2.0311	3.1857	1.0145	4.4408	2.4089	3.5116	1.6526	4.5570		5.0630
H10	3.1857	2.0311	4.4408	1.0145	3.5116	2.4089	4.5570	1.6526	5.0630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.514	C1	C2	H6	120.053
C1	N3	H7	112.662	C1	N3	H9	112.827
C2	C1	N3	125.514	C2	C1	H5	120.053
C2	N4	H8	112.662	C2	N4	H10	112.827
N3	C1	H5	114.083	N4	C2	H6	114.083
H7	N3	H9	109.078	H8	N4	H10	109.078

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/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	0.832
2	C	0.832
3	N	-0.280
4	N	-0.280
5	H	-0.484
6	H	-0.484
7	H	-0.036
8	H	-0.036
9	H	-0.032
10	H	-0.032

	x	y	z	Total
	0.000	0.000	2.006	2.006
CHELPG
AIM
ESP

	x	y	z
x	6.320	0.017	0.000
y	0.017	10.138	0.000
z	0.000	0.000	5.261

<r²>	98.121
(<r²>)^1/2	9.906

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)