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	hartrees
Energy at 0K	-186.680741
Energy at 298.15K
HF Energy	-186.680741
Nuclear repulsion energy	115.514916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3345	0.14
2	A	3590	3171	6.41
3	A	3495	3086	0.04
4	A	1930	1705	0.03
5	A	1827	1614	15.98
6	A	1430	1263	1.68
7	A	1393	1230	0.30
8	A	1116	986	1.82
9	A	1037	916	40.54
10	A	904	798	67.65
11	A	558	492	0.04
12	A	335	296	0.72
13	A	273	241	8.36
14	B	3787	3345	4.85
15	B	3587	3168	0.60
16	B	3486	3078	28.57
17	B	1833	1619	8.22
18	B	1505	1329	11.06
19	B	1292	1141	18.39
20	B	1213	1071	0.47
21	B	837	739	313.09
22	B	818	723	152.82
23	B	370	327	67.74
24	B	279	246	41.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.590	0.025
C2	-0.322	-0.590	0.025
N3	-0.322	1.882	-0.127
N4	0.322	-1.882	-0.127
H5	1.418	0.636	0.016
H6	-1.418	-0.636	0.016
H7	-1.334	1.776	0.137
H8	1.334	-1.776	0.137
H9	0.084	2.541	0.586
H10	-0.084	-2.541	0.586

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3434	1.4516	2.4758	1.0966	2.1277	2.0397	2.5750	2.0440	3.2058
C2	1.3434		2.4758	1.4516	2.1277	1.0966	2.5750	2.0397	3.2058	2.0440
N3	1.4516	2.4758		3.8179	2.1443	2.7493	1.0511	4.0233	1.0524	4.4856
N4	2.4758	1.4516	3.8179		2.7493	2.1443	4.0233	1.0511	4.4856	1.0524
H5	1.0966	2.1277	2.1443	2.7493		3.1072	2.9804	2.4160	2.3938	3.5594
H6	2.1277	1.0966	2.7493	2.1443	3.1072		2.4160	2.9804	3.5594	2.3938
H7	2.0397	2.5750	1.0511	4.0233	2.9804	2.4160		4.4415	1.6723	4.5158
H8	2.5750	2.0397	4.0233	1.0511	2.4160	2.9804	4.4415		4.5158	1.6723
H9	2.0440	3.2058	1.0524	4.4856	2.3938	3.5594	1.6723	4.5158		5.0838
H10	3.2058	2.0440	4.4856	1.0524	3.5594	2.3938	4.5158	1.6723	5.0838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.661	C1	C2	H6	121.056
C1	N3	H7	108.111	C1	N3	H9	108.376
C2	C1	N3	124.661	C2	C1	H5	121.056
C2	N4	H8	108.111	C2	N4	H10	108.376
N3	C1	H5	113.869	N4	C2	H6	113.869
H7	N3	H9	105.308	H8	N4	H10	105.308

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/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	-0.052
2	C	-0.052
3	N	-0.365
4	N	-0.365
5	H	0.072
6	H	0.072
7	H	0.172
8	H	0.172
9	H	0.172
10	H	0.172

	x	y	z	Total
	0.000	0.000	2.843	2.843
CHELPG
AIM
ESP

	x	y	z
x	3.148	0.077	0.000
y	0.077	5.957	0.000
z	0.000	0.000	0.911

<r²>	98.935
(<r²>)^1/2	9.947

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)