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	hartrees
Energy at 0K	-189.226900
Energy at 298.15K
HF Energy	-189.226900
Nuclear repulsion energy	116.568264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3466	3447	0.10
2	A	3374	3355	0.13
3	A	3060	3043	0.07
4	A	1692	1683	0.09
5	A	1601	1593	17.26
6	A	1303	1296	0.68
7	A	1252	1245	0.26
8	A	1009	1004	1.79
9	A	914	909	45.62
10	A	812	808	104.00
11	A	540	537	0.51
12	A	335	333	0.05
13	A	250	248	15.26
14	B	3465	3446	1.42
15	B	3371	3353	3.56
16	B	3064	3047	52.13
17	B	1606	1598	28.85
18	B	1360	1352	9.77
19	B	1143	1137	60.12
20	B	1103	1097	1.49
21	B	775	771	209.41
22	B	745	741	217.56
23	B	355	353	48.14
24	B	258	257	67.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.597	0.043
C2	-0.313	-0.597	0.043
N3	-0.313	1.867	-0.120
N4	0.313	-1.867	-0.120
H5	1.408	0.647	0.047
H6	-1.408	-0.647	0.047
H7	-1.331	1.797	-0.041
H8	1.331	-1.797	-0.041
H9	0.010	2.545	0.576
H10	-0.010	-2.545	0.576

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3478	1.4258	2.4687	1.0955	2.1236	2.0379	2.6024	2.0421	3.2024
C2	1.3478		2.4687	1.4258	2.1236	1.0955	2.6024	2.0379	3.2024	2.0421
N3	1.4258	2.4687		3.7857	2.1161	2.7469	1.0231	4.0168	1.0237	4.4761
N4	2.4687	1.4258	3.7857		2.7469	2.1161	4.0168	1.0231	4.4761	1.0237
H5	1.0955	2.1236	2.1161	2.7469		3.0988	2.9718	2.4472	2.4150	3.5323
H6	2.1236	1.0955	2.7469	2.1161	3.0988		2.4472	2.9718	3.5323	2.4150
H7	2.0379	2.6024	1.0231	4.0168	2.9718	2.4472		4.4728	1.6547	4.5799
H8	2.6024	2.0379	4.0168	1.0231	2.4472	2.9718	4.4728		4.5799	1.6547
H9	2.0421	3.2024	1.0237	4.4761	2.4150	3.5323	1.6547	4.5799		5.0891
H10	3.2024	2.0421	4.4761	1.0237	3.5323	2.4150	4.5799	1.6547	5.0891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.745	C1	C2	H6	120.365
C1	N3	H7	111.589	C1	N3	H9	111.915
C2	C1	N3	125.745	C2	C1	H5	120.365
C2	N4	H8	111.589	C2	N4	H10	111.915
N3	C1	H5	113.482	N4	C2	H6	113.482
H7	N3	H9	107.883	H8	N4	H10	107.883

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.024
2	C	-0.024
3	N	-0.462
4	N	-0.462
5	H	0.054
6	H	0.054
7	H	0.215
8	H	0.215
9	H	0.217
10	H	0.217

	x	y	z	Total
	0.000	0.000	2.016	2.016
CHELPG
AIM
ESP

	x	y	z
x	5.572	-0.041	0.000
y	-0.041	9.138	0.000
z	0.000	0.000	3.235

<r²>	99.020
(<r²>)^1/2	9.951

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)