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	hartrees
Energy at 0K	-189.169011
Energy at 298.15K
HF Energy	-189.169011
Nuclear repulsion energy	118.049762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3644	2.48
2	A	3548	3548	1.07
3	A	3154	3154	0.04
4	A	1771	1771	0.75
5	A	1642	1642	19.05
6	A	1337	1337	0.51
7	A	1289	1289	0.03
8	A	1040	1040	0.17
9	A	937	937	69.05
10	A	784	784	141.79
11	A	558	558	2.12
12	A	334	334	3.55
13	A	246	246	16.70
14	B	3643	3643	7.71
15	B	3546	3546	3.25
16	B	3159	3159	45.51
17	B	1649	1649	52.69
18	B	1393	1393	10.69
19	B	1194	1194	122.87
20	B	1125	1125	1.09
21	B	825	825	60.07
22	B	723	723	331.72
23	B	347	347	37.02
24	B	249	249	99.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.036
C2	-0.311	-0.589	0.036
N3	-0.311	1.841	-0.108
N4	0.311	-1.841	-0.108
H5	1.397	0.630	0.039
H6	-1.397	-0.630	0.039
H7	-1.318	1.786	-0.059
H8	1.318	-1.786	-0.059
H9	0.020	2.525	0.557
H10	-0.020	-2.525	0.557

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3324	1.4046	2.4342	1.0870	2.0983	2.0231	2.5817	2.0255	3.1749
C2	1.3324		2.4342	1.4046	2.0983	1.0870	2.5817	2.0231	3.1749	2.0255
N3	1.4046	2.4342		3.7334	2.0984	2.7029	1.0096	3.9758	1.0096	4.4256
N4	2.4342	1.4046	3.7334		2.7029	2.0984	3.9758	1.0096	4.4256	1.0096
H5	1.0870	2.0983	2.0984	2.7029		3.0649	2.9521	2.4193	2.3990	3.4973
H6	2.0983	1.0870	2.7029	2.0984	3.0649		2.4193	2.9521	3.4973	2.3990
H7	2.0231	2.5817	1.0096	3.9758	2.9521	2.4193		4.4389	1.6479	4.5441
H8	2.5817	2.0231	3.9758	1.0096	2.4193	2.9521	4.4389		4.5441	1.6479
H9	2.0255	3.1749	1.0096	4.4256	2.3990	3.4973	1.6479	4.5441		5.0503
H10	3.1749	2.0255	4.4256	1.0096	3.4973	2.3990	4.5441	1.6479	5.0503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.571	C1	C2	H6	119.948
C1	N3	H7	112.840	C1	N3	H9	113.054
C2	C1	N3	125.571	C2	C1	H5	119.948
C2	N4	H8	112.840	C2	N4	H10	113.054
N3	C1	H5	114.144	N4	C2	H6	114.144
H7	N3	H9	109.404	H8	N4	H10	109.404

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.032
2	C	-0.032
3	N	-0.308
4	N	-0.308
5	H	0.051
6	H	0.051
7	H	0.138
8	H	0.138
9	H	0.151
10	H	0.151

	x	y	z	Total
	0.000	0.000	1.992	1.992
CHELPG
AIM
ESP

	x	y	z
x	5.868	0.089	0.000
y	0.089	9.408	0.000
z	0.000	0.000	4.445

<r²>	97.193
(<r²>)^1/2	9.859

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)