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	hartrees
Energy at 0K	-189.245322
Energy at 298.15K
HF Energy	-189.245322
Nuclear repulsion energy	117.679636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3634	1.02
2	A	3541	3541	2.09
3	A	3157	3157	0.01
4	A	1792	1792	0.02
5	A	1697	1697	33.16
6	A	1350	1350	0.63
7	A	1300	1300	0.05
8	A	1058	1058	0.56
9	A	951	951	82.89
10	A	844	844	155.66
11	A	561	561	1.47
12	A	338	338	0.21
13	A	257	257	22.15
14	B	3634	3634	2.65
15	B	3540	3540	0.45
16	B	3160	3160	45.09
17	B	1708	1708	70.02
18	B	1408	1408	7.72
19	B	1197	1197	96.31
20	B	1148	1148	0.72
21	B	841	841	159.90
22	B	769	769	313.53
23	B	349	349	38.91
24	B	258	258	106.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.589	0.035
C2	-0.312	-0.589	0.035
N3	-0.312	1.849	-0.109
N4	0.312	-1.849	-0.109
H5	1.399	0.631	0.034
H6	-1.399	-0.631	0.034
H7	-1.322	1.777	-0.080
H8	1.322	-1.777	-0.080
H9	-0.010	2.509	0.598
H10	0.010	-2.509	0.598

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3324	1.4140	2.4424	1.0880	2.1011	2.0234	2.5749	2.0266	3.1626
C2	1.3324		2.4424	1.4140	2.1011	1.0880	2.5749	2.0234	3.1626	2.0266
N3	1.4140	2.4424		3.7512	2.1054	2.7120	1.0127	3.9776	1.0128	4.4270
N4	2.4424	1.4140	3.7512		2.7120	2.1054	3.9776	1.0127	4.4270	1.0128
H5	1.0880	2.1011	2.1054	2.7120		3.0695	2.9545	2.4120	2.4144	3.4792
H6	2.1011	1.0880	2.7120	2.1054	3.0695		2.4120	2.9545	3.4792	2.4144
H7	2.0234	2.5749	1.0127	3.9776	2.9545	2.4120		4.4294	1.6481	4.5390
H8	2.5749	2.0234	3.9776	1.0127	2.4120	2.9545	4.4294		4.5390	1.6481
H9	2.0266	3.1626	1.0128	4.4270	2.4144	3.4792	1.6481	4.5390		5.0176
H10	3.1626	2.0266	4.4270	1.0128	3.4792	2.4144	4.5390	1.6481	5.0176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.550	C1	C2	H6	120.137
C1	N3	H7	111.916	C1	N3	H9	112.193
C2	C1	N3	125.550	C2	C1	H5	120.137
C2	N4	H8	111.916	C2	N4	H10	112.193
N3	C1	H5	113.959	N4	C2	H6	113.959
H7	N3	H9	108.905	H8	N4	H10	108.905

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/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	-0.087
2	C	-0.087
3	N	-0.789
4	N	-0.789
5	H	0.216
6	H	0.216
7	H	0.331
8	H	0.331
9	H	0.329
10	H	0.329

	x	y	z	Total
	0.000	0.000	2.393	2.393
CHELPG
AIM
ESP

	x	y	z
x	5.256	0.200	0.000
y	0.200	8.440	0.000
z	0.000	0.000	3.254

<r²>	97.648
(<r²>)^1/2	9.882

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)