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	hartrees
Energy at 0K	-189.077874
Energy at 298.15K
HF Energy	-189.077874
Nuclear repulsion energy	117.676459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3450	0.66
2	A	3525	3352	1.93
3	A	3178	3023	0.14
4	A	1800	1712	0.16
5	A	1683	1601	28.05
6	A	1350	1284	0.69
7	A	1309	1245	0.02
8	A	1060	1008	0.92
9	A	949	902	59.49
10	A	845	803	162.21
11	A	560	533	1.52
12	A	341	324	0.01
13	A	258	245	21.15
14	B	3627	3449	2.16
15	B	3523	3350	0.15
16	B	3180	3024	54.76
17	B	1692	1610	51.80
18	B	1412	1343	9.85
19	B	1216	1156	89.68
20	B	1143	1087	0.74
21	B	818	778	205.27
22	B	766	729	269.00
23	B	355	337	55.34
24	B	258	246	99.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.592	0.037
C2	-0.311	-0.592	0.037
N3	-0.311	1.847	-0.112
N4	0.311	-1.847	-0.112
H5	1.400	0.639	0.038
H6	-1.400	-0.639	0.038
H7	-1.322	1.776	-0.068
H8	1.322	-1.776	-0.068
H9	-0.004	2.515	0.588
H10	0.004	-2.515	0.588

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3383	1.4087	2.4444	1.0903	2.1083	2.0200	2.5776	2.0246	3.1709
C2	1.3383		2.4444	1.4087	2.1083	1.0903	2.5776	2.0200	3.1709	2.0246
N3	1.4087	2.4444		3.7468	2.1008	2.7182	1.0146	3.9750	1.0151	4.4295
N4	2.4444	1.4087	3.7468		2.7182	2.1008	3.9750	1.0146	4.4295	1.0151
H5	1.0903	2.1083	2.1008	2.7182		3.0783	2.9527	2.4183	2.4074	3.4927
H6	2.1083	1.0903	2.7182	2.1008	3.0783		2.4183	2.9527	3.4927	2.4074
H7	2.0200	2.5776	1.0146	3.9750	2.9527	2.4183		4.4287	1.6477	4.5392
H8	2.5776	2.0200	3.9750	1.0146	2.4183	2.9527	4.4287		4.5392	1.6477
H9	2.0246	3.1709	1.0151	4.4295	2.4074	3.4927	1.6477	4.5392		5.0303
H10	3.1709	2.0246	4.4295	1.0151	3.4927	2.4074	4.5392	1.6477	5.0303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.682	C1	C2	H6	120.132
C1	N3	H7	111.910	C1	N3	H9	112.280
C2	C1	N3	125.682	C2	C1	H5	120.132
C2	N4	H8	111.910	C2	N4	H10	112.280
N3	C1	H5	113.814	N4	C2	H6	113.814
H7	N3	H9	108.546	H8	N4	H10	108.546

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/6-31G*

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	-0.034
2	C	-0.034
3	N	-0.764
4	N	-0.764
5	H	0.146
6	H	0.146
7	H	0.326
8	H	0.326
9	H	0.327
10	H	0.327

	x	y	z	Total
	0.000	0.000	2.412	2.412
CHELPG
AIM
ESP

	x	y	z
x	5.087	0.111	0.000
y	0.111	8.383	0.000
z	0.000	0.000	2.658

<r²>	97.291
(<r²>)^1/2	9.864

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)