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	hartrees
Energy at 0K	-189.149525
Energy at 298.15K
HF Energy	-189.149525
Nuclear repulsion energy	118.015231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3502	2.56
2	A	3547	3411	0.24
3	A	3153	3032	0.06
4	A	1771	1702	0.54
5	A	1640	1577	17.97
6	A	1334	1283	0.44
7	A	1287	1238	0.01
8	A	1036	997	0.14
9	A	935	899	69.41
10	A	773	743	135.26
11	A	555	534	2.46
12	A	331	318	4.22
13	A	242	233	15.22
14	B	3642	3501	11.25
15	B	3546	3409	4.92
16	B	3157	3035	42.85
17	B	1647	1584	55.58
18	B	1391	1337	10.64
19	B	1192	1146	134.35
20	B	1121	1078	1.14
21	B	824	792	52.22
22	B	716	688	297.60
23	B	343	330	34.14
24	B	247	238	95.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.034
C2	-0.311	-0.589	0.034
N3	-0.311	1.841	-0.106
N4	0.311	-1.841	-0.106
H5	1.397	0.631	0.036
H6	-1.397	-0.631	0.036
H7	-1.318	1.789	-0.048
H8	1.318	-1.789	-0.048
H9	0.029	2.528	0.551
H10	-0.029	-2.528	0.551

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3322	1.4053	2.4342	1.0869	2.0990	2.0254	2.5841	2.0265	3.1780
C2	1.3322		2.4342	1.4053	2.0990	1.0869	2.5841	2.0254	3.1780	2.0265
N3	1.4053	2.4342		3.7344	2.0986	2.7035	1.0100	3.9797	1.0099	4.4275
N4	2.4342	1.4053	3.7344		2.7035	2.0986	3.9797	1.0100	4.4275	1.0099
H5	1.0869	2.0990	2.0986	2.7035		3.0659	2.9535	2.4227	2.3954	3.5039
H6	2.0990	1.0869	2.7035	2.0986	3.0659		2.4227	2.9535	3.5039	2.3954
H7	2.0254	2.5841	1.0100	3.9797	2.9535	2.4227		4.4449	1.6492	4.5456
H8	2.5841	2.0254	3.9797	1.0100	2.4227	2.9535	4.4449		4.5456	1.6492
H9	2.0265	3.1780	1.0099	4.4275	2.3954	3.5039	1.6492	4.5456		5.0569
H10	3.1780	2.0265	4.4275	1.0099	3.5039	2.3954	4.5456	1.6492	5.0569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.525	C1	C2	H6	120.033
C1	N3	H7	112.960	C1	N3	H9	113.071
C2	C1	N3	125.525	C2	C1	H5	120.033
C2	N4	H8	112.960	C2	N4	H10	113.071
N3	C1	H5	114.114	N4	C2	H6	114.114
H7	N3	H9	109.470	H8	N4	H10	109.470

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	-0.182
2	C	-0.182
3	N	-0.379
4	N	-0.379
5	H	0.427
6	H	0.427
7	H	0.078
8	H	0.078
9	H	0.055
10	H	0.055

	x	y	z	Total
	0.000	0.000	1.986	1.986
CHELPG
AIM
ESP

	x	y	z
x	6.293	-0.012	0.000
y	-0.012	10.094	0.000
z	0.000	0.000	5.232

<r²>	97.439
(<r²>)^1/2	9.871

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)