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	hartrees
Energy at 0K	-189.120785
Energy at 298.15K
HF Energy	-189.120785
Nuclear repulsion energy	117.546020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3634	2.22
2	A	3532	3532	0.12
3	A	3166	3166	0.07
4	A	1775	1775	0.61
5	A	1627	1627	18.16
6	A	1326	1326	0.40
7	A	1284	1284	0.02
8	A	1038	1038	0.02
9	A	931	931	68.00
10	A	780	780	126.99
11	A	554	554	2.15
12	A	326	326	3.45
13	A	246	246	15.62
14	B	3633	3633	8.29
15	B	3530	3530	2.91
16	B	3170	3170	46.40
17	B	1635	1635	54.95
18	B	1382	1382	11.15
19	B	1195	1195	130.58
20	B	1118	1118	1.25
21	B	820	820	57.95
22	B	723	723	289.31
23	B	342	342	34.76
24	B	249	249	96.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.593	0.036
C2	-0.313	-0.593	0.036
N3	-0.313	1.848	-0.109
N4	0.313	-1.848	-0.109
H5	1.405	0.636	0.038
H6	-1.405	-0.636	0.038
H7	-1.324	1.788	-0.054
H8	1.324	-1.788	-0.054
H9	0.014	2.530	0.566
H10	-0.014	-2.530	0.566

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3404	1.4096	2.4447	1.0933	2.1121	2.0282	2.5877	2.0306	3.1844
C2	1.3404		2.4447	1.4096	2.1121	1.0933	2.5877	2.0282	3.1844	2.0306
N3	1.4096	2.4447		3.7479	2.1074	2.7172	1.0144	3.9869	1.0144	4.4395
N4	2.4447	1.4096	3.7479		2.7172	2.1074	3.9869	1.0144	4.4395	1.0144
H5	1.0933	2.1121	2.1074	2.7172		3.0848	2.9635	2.4265	2.4086	3.5096
H6	2.1121	1.0933	2.7172	2.1074	3.0848		2.4265	2.9635	3.5096	2.4086
H7	2.0282	2.5877	1.0144	3.9869	2.9635	2.4265		4.4487	1.6514	4.5542
H8	2.5877	2.0282	3.9869	1.0144	2.4265	2.9635	4.4487		4.5542	1.6514
H9	2.0306	3.1844	1.0144	4.4395	2.4086	3.5096	1.6514	4.5542		5.0601
H10	3.1844	2.0306	4.4395	1.0144	3.5096	2.4086	4.5542	1.6514	5.0601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.475	C1	C2	H6	120.074
C1	N3	H7	112.575	C1	N3	H9	112.781
C2	C1	N3	125.475	C2	C1	H5	120.074
C2	N4	H8	112.575	C2	N4	H10	112.781
N3	C1	H5	114.108	N4	C2	H6	114.108
H7	N3	H9	108.971	H8	N4	H10	108.971

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/daug-cc-pVDZ

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	0.473
2	C	0.473
3	N	0.328
4	N	0.328
5	H	-0.761
6	H	-0.761
7	H	-0.061
8	H	-0.061
9	H	0.020
10	H	0.020

	x	y	z	Total
	0.000	0.000	2.012	2.012
CHELPG
AIM
ESP

	x	y	z
x	6.408	-0.032	0.000
y	-0.032	10.269	0.000
z	0.000	0.000	5.339

<r²>	98.098
(<r²>)^1/2	9.904

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)