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	hartrees
Energy at 0K	-189.311046
Energy at 298.15K
HF Energy	-189.311046
Nuclear repulsion energy	117.497792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3466	0.64
2	A	3499	3376	1.13
3	A	3140	3030	0.05
4	A	1763	1701	0.16
5	A	1644	1586	19.22
6	A	1338	1291	0.70
7	A	1287	1242	0.13
8	A	1037	1000	0.80
9	A	951	917	45.21
10	A	821	792	125.59
11	A	556	536	0.86
12	A	336	324	0.35
13	A	254	245	15.55
14	B	3591	3465	2.24
15	B	3497	3374	0.06
16	B	3143	3033	48.73
17	B	1649	1592	39.25
18	B	1396	1347	9.54
19	B	1180	1139	82.12
20	B	1128	1089	1.06
21	B	820	792	104.85
22	B	754	728	315.63
23	B	353	340	43.70
24	B	258	249	82.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.591	0.034
C2	-0.311	-0.591	0.034
N3	-0.311	1.853	-0.111
N4	0.311	-1.853	-0.111
H5	1.399	0.637	0.037
H6	-1.399	-0.637	0.037
H7	-1.321	1.789	-0.041
H8	1.321	-1.789	-0.041
H9	0.017	2.524	0.576
H10	-0.017	-2.524	0.576

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3357	1.4145	2.4482	1.0888	2.1055	2.0261	2.5867	2.0287	3.1783
C2	1.3357		2.4482	1.4145	2.1055	1.0888	2.5867	2.0261	3.1783	2.0287
N3	1.4145	2.4482		3.7578	2.1033	2.7215	1.0140	3.9919	1.0144	4.4398
N4	2.4482	1.4145	3.7578		2.7215	2.1033	3.9919	1.0140	4.4398	1.0144
H5	1.0888	2.1055	2.1033	2.7215		3.0745	2.9546	2.4293	2.3996	3.5051
H6	2.1055	1.0888	2.7215	2.1033	3.0745		2.4293	2.9546	3.5051	2.3996
H7	2.0261	2.5867	1.0140	3.9919	2.9546	2.4293		4.4481	1.6457	4.5478
H8	2.5867	2.0261	3.9919	1.0140	2.4293	2.9546	4.4481		4.5478	1.6457
H9	2.0287	3.1783	1.0144	4.4398	2.3996	3.5051	1.6457	4.5478		5.0473
H10	3.1783	2.0287	4.4398	1.0144	3.5051	2.3996	4.5478	1.6457	5.0473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.768	C1	C2	H6	120.209
C1	N3	H7	112.029	C1	N3	H9	112.233
C2	C1	N3	125.768	C2	C1	H5	120.209
C2	N4	H8	112.029	C2	N4	H10	112.233
N3	C1	H5	113.694	N4	C2	H6	113.694
H7	N3	H9	108.452	H8	N4	H10	108.452

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.033
2	C	-0.033
3	N	-0.512
4	N	-0.512
5	H	0.076
6	H	0.076
7	H	0.233
8	H	0.233
9	H	0.236
10	H	0.236

	x	y	z	Total
	0.000	0.000	2.082	2.082
CHELPG
AIM
ESP

	x	y	z
x	5.379	0.054	0.000
y	0.054	8.671	0.000
z	0.000	0.000	3.171

<r²>	97.678
(<r²>)^1/2	9.883

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)