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	hartrees
Energy at 0K	-189.128167
Energy at 298.15K
HF Energy	-189.128167
Nuclear repulsion energy	117.042858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3519	3479	1.19
2	A	3420	3381	0.71
3	A	3064	3029	0.09
4	A	1696	1677	1.21
5	A	1596	1578	22.43
6	A	1293	1279	0.35
7	A	1248	1234	0.06
8	A	1008	996	0.53
9	A	882	872	70.84
10	A	757	749	155.01
11	A	541	535	2.12
12	A	332	329	2.43
13	A	240	237	20.68
14	B	3518	3478	2.59
15	B	3418	3379	0.48
16	B	3069	3034	50.81
17	B	1602	1584	54.88
18	B	1349	1334	8.53
19	B	1157	1144	106.84
20	B	1095	1082	1.53
21	B	757	748	58.34
22	B	699	691	349.99
23	B	345	341	44.27
24	B	247	245	95.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.596	0.051
C2	-0.313	-0.596	0.051
N3	-0.313	1.854	-0.118
N4	0.313	-1.854	-0.118
H5	1.407	0.642	0.056
H6	-1.407	-0.642	0.056
H7	-1.331	1.796	-0.087
H8	1.331	-1.796	-0.087
H9	0.008	2.555	0.551
H10	-0.008	-2.555	0.551

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3465	1.4144	2.4556	1.0957	2.1195	2.0398	2.6040	2.0438	3.2061
C2	1.3465		2.4556	1.4144	2.1195	1.0957	2.6040	2.0398	3.2061	2.0438
N3	1.4144	2.4556		3.7595	2.1111	2.7307	1.0201	4.0031	1.0204	4.4688
N4	2.4556	1.4144	3.7595		2.7307	2.1111	4.0031	1.0201	4.4688	1.0204
H5	1.0957	2.1195	2.1111	2.7307		3.0940	2.9751	2.4440	2.4208	3.5308
H6	2.1195	1.0957	2.7307	2.1111	3.0940		2.4440	2.9751	3.5308	2.4208
H7	2.0398	2.6040	1.0201	4.0031	2.9751	2.4440		4.4714	1.6656	4.5921
H8	2.6040	2.0398	4.0031	1.0201	2.4440	2.9751	4.4714		4.5921	1.6656
H9	2.0438	3.2061	1.0204	4.4688	2.4208	3.5308	1.6656	4.5921		5.1090
H10	3.2061	2.0438	4.4688	1.0204	3.5308	2.4208	4.5921	1.6656	5.1090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.581	C1	C2	H6	120.073
C1	N3	H7	112.828	C1	N3	H9	113.157
C2	C1	N3	125.581	C2	C1	H5	120.073
C2	N4	H8	112.828	C2	N4	H10	113.157
N3	C1	H5	113.896	N4	C2	H6	113.896
H7	N3	H9	109.422	H8	N4	H10	109.422

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.125
2	C	-0.125
3	N	-0.375
4	N	-0.375
5	H	0.095
6	H	0.095
7	H	0.196
8	H	0.196
9	H	0.209
10	H	0.209

	x	y	z	Total
	0.000	0.000	2.032	2.032
CHELPG
AIM
ESP

	x	y	z
x	5.915	0.066	0.000
y	0.066	9.827	0.000
z	0.000	0.000	4.328

<r²>	98.680
(<r²>)^1/2	9.934

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)