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	hartrees
Energy at 0K	-189.317911
Energy at 298.15K
HF Energy	-189.317911
Nuclear repulsion energy	117.196775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3487	2.18
2	A	3520	3389	0.73
3	A	3152	3035	0.05
4	A	1752	1686	0.85
5	A	1649	1587	25.13
6	A	1335	1286	0.66
7	A	1274	1227	0.07
8	A	1029	990	0.05
9	A	924	889	77.05
10	A	767	738	179.35
11	A	551	531	3.02
12	A	323	311	3.21
13	A	243	234	20.52
14	B	3622	3487	7.74
15	B	3518	3387	3.44
16	B	3156	3039	52.66
17	B	1657	1595	67.21
18	B	1389	1338	7.97
19	B	1170	1126	138.32
20	B	1119	1077	2.95
21	B	800	770	64.60
22	B	711	684	329.91
23	B	340	327	33.97
24	B	247	238	114.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.593	0.041
C2	-0.314	-0.593	0.041
N3	-0.314	1.854	-0.109
N4	0.314	-1.854	-0.109
H5	1.402	0.641	0.042
H6	-1.402	-0.641	0.042
H7	-1.327	1.805	-0.086
H8	1.327	-1.805	-0.086
H9	0.010	2.547	0.558
H10	-0.010	-2.547	0.558

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3423	1.4165	2.4523	1.0893	2.1138	2.0435	2.6068	2.0437	3.1992
C2	1.3423		2.4523	1.4165	2.1138	1.0893	2.6068	2.0435	3.1992	2.0437
N3	1.4165	2.4523		3.7614	2.1066	2.7269	1.0145	4.0104	1.0147	4.4621
N4	2.4523	1.4165	3.7614		2.7269	2.1066	4.0104	1.0145	4.4621	1.0147
H5	1.0893	2.1138	2.1066	2.7269		3.0834	2.9693	2.4511	2.4156	3.5253
H6	2.1138	1.0893	2.7269	2.1066	3.0834		2.4511	2.9693	3.5253	2.4156
H7	2.0435	2.6068	1.0145	4.0104	2.9693	2.4511		4.4806	1.6594	4.5926
H8	2.6068	2.0435	4.0104	1.0145	2.4511	2.9693	4.4806		4.5926	1.6594
H9	2.0437	3.1992	1.0147	4.4621	2.4156	3.5253	1.6594	4.5926		5.0945
H10	3.1992	2.0437	4.4621	1.0147	3.5253	2.4156	4.5926	1.6594	5.0945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.450	C1	C2	H6	120.396
C1	N3	H7	113.379	C1	N3	H9	113.382
C2	C1	N3	125.450	C2	C1	H5	120.396
C2	N4	H8	113.379	C2	N4	H10	113.382
N3	C1	H5	113.785	N4	C2	H6	113.785
H7	N3	H9	109.718	H8	N4	H10	109.718

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.088
2	C	-0.088
3	N	-0.582
4	N	-0.582
5	H	0.110
6	H	0.110
7	H	0.277
8	H	0.277
9	H	0.284
10	H	0.284

	x	y	z	Total
	0.000	0.000	2.171	2.171
CHELPG
AIM
ESP

	x	y	z
x	5.750	0.222	0.000
y	0.222	9.552	0.000
z	0.000	0.000	4.738

<r²>	98.879
(<r²>)^1/2	9.944

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)