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	hartrees
Energy at 0K	-189.062111
Energy at 298.15K
HF Energy	-189.062111
Nuclear repulsion energy	117.669560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3451	0.76
2	A	3529	3354	2.16
3	A	3180	3022	0.14
4	A	1802	1713	0.16
5	A	1683	1600	28.41
6	A	1351	1284	0.68
7	A	1310	1245	0.02
8	A	1060	1008	0.91
9	A	949	902	60.37
10	A	844	802	162.72
11	A	560	533	1.53
12	A	340	323	0.02
13	A	258	245	21.15
14	B	3631	3450	2.41
15	B	3527	3352	0.05
16	B	3182	3024	52.88
17	B	1692	1608	52.48
18	B	1412	1342	9.71
19	B	1218	1157	90.01
20	B	1143	1086	0.70
21	B	818	778	203.14
22	B	765	727	270.87
23	B	354	336	54.66
24	B	257	244	100.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.592	0.037
C2	-0.311	-0.592	0.037
N3	-0.311	1.848	-0.112
N4	0.311	-1.848	-0.112
H5	1.401	0.639	0.038
H6	-1.401	-0.639	0.038
H7	-1.322	1.777	-0.067
H8	1.322	-1.777	-0.067
H9	-0.003	2.515	0.588
H10	0.003	-2.515	0.588

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3385	1.4088	2.4446	1.0904	2.1085	2.0201	2.5779	2.0243	3.1709
C2	1.3385		2.4446	1.4088	2.1085	1.0904	2.5779	2.0201	3.1709	2.0243
N3	1.4088	2.4446		3.7471	2.1008	2.7186	1.0146	3.9754	1.0151	4.4294
N4	2.4446	1.4088	3.7471		2.7186	2.1008	3.9754	1.0146	4.4294	1.0151
H5	1.0904	2.1085	2.1008	2.7186		3.0787	2.9528	2.4188	2.4068	3.4932
H6	2.1085	1.0904	2.7186	2.1008	3.0787		2.4188	2.9528	3.4932	2.4068
H7	2.0201	2.5779	1.0146	3.9754	2.9528	2.4188		4.4292	1.6478	4.5389
H8	2.5779	2.0201	3.9754	1.0146	2.4188	2.9528	4.4292		4.5389	1.6478
H9	2.0243	3.1709	1.0151	4.4294	2.4068	3.4932	1.6478	4.5389		5.0298
H10	3.1709	2.0243	4.4294	1.0151	3.4932	2.4068	4.5389	1.6478	5.0298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.687	C1	C2	H6	120.139
C1	N3	H7	111.911	C1	N3	H9	112.246
C2	C1	N3	125.687	C2	C1	H5	120.139
C2	N4	H8	111.911	C2	N4	H10	112.246
N3	C1	H5	113.802	N4	C2	H6	113.802
H7	N3	H9	108.546	H8	N4	H10	108.546

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/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	-0.037
2	C	-0.037
3	N	-0.768
4	N	-0.768
5	H	0.150
6	H	0.150
7	H	0.327
8	H	0.327
9	H	0.328
10	H	0.328

	x	y	z	Total
	0.000	0.000	2.419	2.419
CHELPG
AIM
ESP

	x	y	z
x	5.075	0.115	0.000
y	0.115	8.371	0.000
z	0.000	0.000	2.658

<r²>	97.302
(<r²>)^1/2	9.864

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)