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	hartrees
Energy at 0K	-189.259002
Energy at 298.15K
HF Energy	-189.259002
Nuclear repulsion energy	116.453270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3461	3452	0.02
2	A	3369	3360	0.05
3	A	3040	3033	0.03
4	A	1689	1685	1.26
5	A	1646	1641	27.01
6	A	1306	1303	0.74
7	A	1254	1251	0.01
8	A	1012	1010	2.08
9	A	887	884	85.38
10	A	811	809	129.26
11	A	538	536	0.90
12	A	331	330	0.27
13	A	245	245	20.30
14	B	3460	3451	4.01
15	B	3366	3358	11.31
16	B	3045	3038	68.74
17	B	1657	1652	47.06
18	B	1370	1367	7.21
19	B	1134	1131	65.25
20	B	1117	1114	3.26
21	B	763	761	375.50
22	B	737	736	106.39
23	B	350	349	46.38
24	B	252	252	89.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.598	0.051
C2	-0.313	-0.598	0.051
N3	-0.313	1.868	-0.122
N4	0.313	-1.868	-0.122
H5	1.408	0.649	0.053
H6	-1.408	-0.649	0.053
H7	-1.332	1.804	-0.080
H8	1.332	-1.804	-0.080
H9	0.000	2.553	0.572
H10	-0.000	-2.553	0.572

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3496	1.4264	2.4724	1.0962	2.1245	2.0441	2.6131	2.0471	3.2090
C2	1.3496		2.4724	1.4264	2.1245	1.0962	2.6131	2.0441	3.2090	2.0471
N3	1.4264	2.4724		3.7887	2.1159	2.7505	1.0226	4.0245	1.0233	4.4864
N4	2.4724	1.4264	3.7887		2.7505	2.1159	4.0245	1.0226	4.4864	1.0233
H5	1.0962	2.1245	2.1159	2.7505		3.0998	2.9766	2.4578	2.4241	3.5359
H6	2.1245	1.0962	2.7505	2.1159	3.0998		2.4578	2.9766	3.5359	2.4241
H7	2.0441	2.6131	1.0226	4.0245	2.9766	2.4578		4.4859	1.6614	4.6028
H8	2.6131	2.0441	4.0245	1.0226	2.4578	2.9766	4.4859		4.6028	1.6614
H9	2.0471	3.2090	1.0233	4.4864	2.4241	3.5359	1.6614	4.6028		5.1062
H10	3.2090	2.0471	4.4864	1.0233	3.5359	2.4241	4.6028	1.6614	5.1062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.890	C1	C2	H6	120.252
C1	N3	H7	112.105	C1	N3	H9	112.322
C2	C1	N3	125.890	C2	C1	H5	120.252
C2	N4	H8	112.105	C2	N4	H10	112.322
N3	C1	H5	113.376	N4	C2	H6	113.376
H7	N3	H9	108.591	H8	N4	H10	108.591

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/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	-0.077
2	C	-0.077
3	N	-0.695
4	N	-0.695
5	H	0.169
6	H	0.169
7	H	0.302
8	H	0.302
9	H	0.301
10	H	0.301

	x	y	z
x	5.639	0.043	0.000
y	0.043	9.324	0.000
z	0.000	0.000	3.359

<r²>	99.567
(<r²>)^1/2	9.978

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)