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	hartrees
Energy at 0K	-189.167628
Energy at 298.15K
HF Energy	-189.167628
Nuclear repulsion energy	117.361004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3595	3.75
2	A	3627	3474	0.77
3	A	3175	3040	0.23
4	A	1784	1709	2.34
5	A	1701	1629	8.44
6	A	1364	1307	1.47
7	A	1298	1243	1.42
8	A	1021	978	0.99
9	A	943	903	78.48
10	A	573	549	29.33
11	A	458	439	485.74
12	A	349	334	43.67
13	A	230	220	30.01
14	B	3754	3595	11.14
15	B	3625	3472	17.54
16	B	3178	3044	68.17
17	B	1704	1632	110.40
18	B	1410	1351	8.73
19	B	1228	1176	184.58
20	B	1113	1066	5.77
21	B	817	782	23.72
22	B	408	391	209.51
23	B	328	314	6.01
24	B	173	166	207.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.595	0.050
C2	-0.315	-0.595	0.050
N3	-0.315	1.843	-0.077
N4	0.315	-1.843	-0.077
H5	1.403	0.640	0.063
H6	-1.403	-0.640	0.063
H7	-1.306	1.872	-0.249
H8	1.306	-1.872	-0.249
H9	0.065	2.632	0.421
H10	-0.065	-2.632	0.421

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3469	1.4037	2.4420	1.0890	2.1161	2.0851	2.6757	2.0847	3.2702
C2	1.3469		2.4420	1.4037	2.1161	1.0890	2.6757	2.0851	3.2702	2.0847
N3	1.4037	2.4420		3.7402	2.1017	2.7152	1.0068	4.0573	1.0064	4.5094
N4	2.4420	1.4037	3.7402		2.7152	2.1017	4.0573	1.0068	4.5094	1.0064
H5	1.0890	2.1161	2.1017	2.7152		3.0843	2.9922	2.5334	2.4254	3.6041
H6	2.1161	1.0890	2.7152	2.1017	3.0843		2.5334	2.9922	3.6041	2.4254
H7	2.0851	2.6757	1.0068	4.0573	2.9922	2.5334		4.5653	1.7049	4.7191
H8	2.6757	2.0851	4.0573	1.0068	2.5334	2.9922	4.5653		4.7191	1.7049
H9	2.0847	3.2702	1.0064	4.5094	2.4254	3.6041	1.7049	4.7191		5.2647
H10	3.2702	2.0847	4.5094	1.0064	3.6041	2.4254	4.7191	1.7049	5.2647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.183	C1	C2	H6	120.253
C1	N3	H7	118.846	C1	N3	H9	118.834
C2	C1	N3	125.183	C2	C1	H5	120.253
C2	N4	H8	118.846	C2	N4	H10	118.834
N3	C1	H5	114.353	N4	C2	H6	114.353
H7	N3	H9	115.746	H8	N4	H10	115.746

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/6-31G

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	0.026
2	C	0.026
3	N	-0.793
4	N	-0.793
5	H	0.137
6	H	0.137
7	H	0.317
8	H	0.317
9	H	0.314
10	H	0.314

	x	y	z	Total
	0.000	0.000	1.457	1.457
CHELPG
AIM
ESP

	x	y	z
x	4.835	0.187	0.000
y	0.187	8.426	0.000
z	0.000	0.000	2.109

<r²>	98.075
(<r²>)^1/2	9.903

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)