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	hartrees
Energy at 0K	-189.094495
Energy at 298.15K
HF Energy	-189.094495
Nuclear repulsion energy	117.766014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3488	0.95
2	A	3548	3386	1.93
3	A	3172	3027	0.12
4	A	1797	1714	0.41
5	A	1653	1578	24.53
6	A	1341	1280	0.67
7	A	1300	1240	0.03
8	A	1052	1004	0.31
9	A	946	903	56.07
10	A	816	779	164.82
11	A	561	535	1.71
12	A	340	324	0.13
13	A	256	244	20.46
14	B	3654	3487	3.05
15	B	3546	3384	0.01
16	B	3174	3029	53.46
17	B	1662	1586	53.32
18	B	1400	1336	10.43
19	B	1214	1158	98.16
20	B	1131	1079	0.74
21	B	813	776	108.12
22	B	744	710	343.87
23	B	353	337	49.93
24	B	257	245	100.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.592	0.036
C2	-0.311	-0.592	0.036
N3	-0.311	1.846	-0.110
N4	0.311	-1.846	-0.110
H5	1.400	0.636	0.038
H6	-1.400	-0.636	0.038
H7	-1.321	1.777	-0.066
H8	1.321	-1.777	-0.066
H9	0.001	2.516	0.583
H10	-0.001	-2.516	0.583

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3382	1.4072	2.4426	1.0899	2.1064	2.0194	2.5776	2.0235	3.1712
C2	1.3382		2.4426	1.4072	2.1064	1.0899	2.5776	2.0194	3.1712	2.0235
N3	1.4072	2.4426		3.7439	2.1015	2.7141	1.0128	3.9739	1.0134	4.4272
N4	2.4426	1.4072	3.7439		2.7141	2.1015	3.9739	1.0128	4.4272	1.0134
H5	1.0899	2.1064	2.1015	2.7141		3.0756	2.9527	2.4164	2.4059	3.4917
H6	2.1064	1.0899	2.7141	2.1015	3.0756		2.4164	2.9527	3.4917	2.4059
H7	2.0194	2.5776	1.0128	3.9739	2.9527	2.4164		4.4285	1.6478	4.5378
H8	2.5776	2.0194	3.9739	1.0128	2.4164	2.9527	4.4285		4.5378	1.6478
H9	2.0235	3.1712	1.0134	4.4272	2.4059	3.4917	1.6478	4.5378		5.0313
H10	3.1712	2.0235	4.4272	1.0134	3.4917	2.4059	4.5378	1.6478	5.0313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.651	C1	C2	H6	119.996
C1	N3	H7	112.083	C1	N3	H9	112.411
C2	C1	N3	125.651	C2	C1	H5	119.996
C2	N4	H8	112.083	C2	N4	H10	112.411
N3	C1	H5	114.005	N4	C2	H6	114.005
H7	N3	H9	108.829	H8	N4	H10	108.829

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/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	0.010
2	C	0.010
3	N	-0.643
4	N	-0.643
5	H	0.105
6	H	0.105
7	H	0.262
8	H	0.262
9	H	0.266
10	H	0.266

	x	y	z	Total
	0.000	0.000	2.322	2.322
CHELPG
AIM
ESP

	x	y	z
x	5.161	0.113	0.000
y	0.113	8.440	0.000
z	0.000	0.000	2.718

<r²>	97.137
(<r²>)^1/2	9.856

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)