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	hartrees
Energy at 0K	-189.046433
Energy at 298.15K
HF Energy	-189.046433
Nuclear repulsion energy	116.738833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3491	3433	0.10
2	A	3387	3331	0.35
3	A	3081	3030	0.17
4	A	1723	1695	0.14
5	A	1626	1600	25.03
6	A	1304	1283	0.71
7	A	1269	1248	0.00
8	A	1026	1009	1.54
9	A	898	883	58.65
10	A	824	810	137.36
11	A	543	534	1.14
12	A	339	334	0.01
13	A	248	244	20.76
14	B	3490	3432	1.82
15	B	3384	3328	5.09
16	B	3083	3032	57.02
17	B	1635	1608	39.43
18	B	1366	1343	10.56
19	B	1180	1160	70.47
20	B	1109	1090	0.77
21	B	770	757	396.27
22	B	736	724	74.87
23	B	356	350	61.00
24	B	255	251	80.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.599	0.049
C2	-0.313	-0.599	0.049
N3	-0.313	1.860	-0.123
N4	0.313	-1.860	-0.123
H5	1.411	0.649	0.051
H6	-1.411	-0.649	0.051
H7	-1.334	1.782	-0.066
H8	1.334	-1.782	-0.066
H9	-0.006	2.541	0.581
H10	0.006	-2.541	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3520	1.4182	2.4647	1.0989	2.1284	2.0312	2.5932	2.0382	3.1991
C2	1.3520		2.4647	1.4182	2.1284	1.0989	2.5932	2.0312	3.1991	2.0382
N3	1.4182	2.4647		3.7719	2.1142	2.7436	1.0249	3.9974	1.0257	4.4675
N4	2.4647	1.4182	3.7719		2.7436	2.1142	3.9974	1.0249	4.4675	1.0257
H5	1.0989	2.1284	2.1142	2.7436		3.1060	2.9719	2.4350	2.4224	3.5249
H6	2.1284	1.0989	2.7436	2.1142	3.1060		2.4350	2.9719	3.5249	2.4224
H7	2.0312	2.5932	1.0249	3.9974	2.9719	2.4350		4.4520	1.6599	4.5717
H8	2.5932	2.0312	3.9974	1.0249	2.4350	2.9719	4.4520		4.5717	1.6599
H9	2.0382	3.1991	1.0257	4.4675	2.4224	3.5249	1.6599	4.5717		5.0811
H10	3.1991	2.0382	4.4675	1.0257	3.5249	2.4224	4.5717	1.6599	5.0811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.662	C1	C2	H6	120.198
C1	N3	H7	111.470	C1	N3	H9	112.028
C2	C1	N3	125.662	C2	C1	H5	120.198
C2	N4	H8	111.470	C2	N4	H10	112.028
N3	C1	H5	113.668	N4	C2	H6	113.668
H7	N3	H9	108.092	H8	N4	H10	108.092

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/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	-0.029
2	C	-0.029
3	N	-0.708
4	N	-0.708
5	H	0.122
6	H	0.122
7	H	0.307
8	H	0.307
9	H	0.308
10	H	0.308

	x	y	z	Total
	0.000	0.000	2.323	2.323
CHELPG
AIM
ESP

	x	y	z
x	5.298	-0.008	0.000
y	-0.008	8.923	0.000
z	0.000	0.000	2.729

<r²>	98.534
(<r²>)^1/2	9.926

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)