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	hartrees
Energy at 0K	-189.269477
Energy at 298.15K
HF Energy	-189.269477
Nuclear repulsion energy	117.706661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3648	0.47
2	A	3556	3556	1.10
3	A	3160	3160	0.02
4	A	1797	1797	0.02
5	A	1707	1707	32.34
6	A	1354	1354	0.57
7	A	1305	1305	0.10
8	A	1059	1059	0.90
9	A	936	936	80.96
10	A	830	830	165.71
11	A	564	564	1.58
12	A	333	333	1.42
13	A	250	250	20.62
14	B	3647	3647	0.65
15	B	3554	3554	0.33
16	B	3162	3162	61.38
17	B	1718	1718	69.47
18	B	1414	1414	6.12
19	B	1198	1198	102.17
20	B	1151	1151	0.96
21	B	824	824	154.69
22	B	756	756	321.17
23	B	351	351	30.81
24	B	247	247	125.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.590	0.035
C2	-0.311	-0.590	0.035
N3	-0.311	1.849	-0.108
N4	0.311	-1.849	-0.108
H5	1.399	0.636	0.034
H6	-1.399	-0.636	0.034
H7	-1.320	1.787	-0.075
H8	1.320	-1.787	-0.075
H9	0.003	2.515	0.585
H10	-0.003	-2.515	0.585

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3330	1.4120	2.4430	1.0890	2.1034	2.0260	2.5842	2.0260	3.1685
C2	1.3330		2.4430	1.4120	2.1034	1.0890	2.5842	2.0260	3.1685	2.0260
N3	1.4120	2.4430		3.7502	2.1015	2.7163	1.0113	3.9851	1.0113	4.4297
N4	2.4430	1.4120	3.7502		2.7163	2.1015	3.9851	1.0113	4.4297	1.0113
H5	1.0890	2.1034	2.1015	2.7163		3.0730	2.9543	2.4263	2.4053	3.4921
H6	2.1034	1.0890	2.7163	2.1015	3.0730		2.4263	2.9543	3.4921	2.4053
H7	2.0260	2.5842	1.0113	3.9851	2.9543	2.4263		4.4428	1.6479	4.5474
H8	2.5842	2.0260	3.9851	1.0113	2.4263	2.9543	4.4428		4.5474	1.6479
H9	2.0260	3.1685	1.0113	4.4297	2.4053	3.4921	1.6479	4.5474		5.0301
H10	3.1685	2.0260	4.4297	1.0113	3.4921	2.4053	4.5474	1.6479	5.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.717	C1	C2	H6	120.220
C1	N3	H7	112.397	C1	N3	H9	112.403
C2	C1	N3	125.717	C2	C1	H5	120.220
C2	N4	H8	112.397	C2	N4	H10	112.403
N3	C1	H5	113.708	N4	C2	H6	113.708
H7	N3	H9	109.125	H8	N4	H10	109.125

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/6-311G*

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	-0.086
2	C	-0.086
3	N	-0.766
4	N	-0.766
5	H	0.201
6	H	0.201
7	H	0.327
8	H	0.327
9	H	0.324
10	H	0.324

	x	y	z	Total
	0.000	0.000	2.377	2.377
CHELPG
AIM
ESP

	x	y	z
x	5.305	0.233	0.000
y	0.233	8.515	0.000
z	0.000	0.000	3.243

<r²>	97.535
(<r²>)^1/2	9.876

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)