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	hartrees
Energy at 0K	-189.192665
Energy at 298.15K
HF Energy	-189.192665
Nuclear repulsion energy	117.095520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3526	3526	0.29
2	A	3426	3426	0.42
3	A	3086	3086	0.07
4	A	1716	1716	0.08
5	A	1616	1616	18.82
6	A	1310	1310	0.66
7	A	1265	1265	0.18
8	A	1022	1022	1.76
9	A	916	916	48.80
10	A	822	822	107.11
11	A	547	547	0.58
12	A	336	336	0.12
13	A	248	248	15.95
14	B	3525	3525	1.34
15	B	3423	3423	2.33
16	B	3088	3088	58.28
17	B	1622	1622	32.77
18	B	1370	1370	10.14
19	B	1161	1161	68.92
20	B	1111	1111	0.94
21	B	780	780	274.23
22	B	748	748	157.48
23	B	357	357	46.36
24	B	258	258	72.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.595	0.042
C2	-0.313	-0.595	0.042
N3	-0.313	1.858	-0.119
N4	0.313	-1.858	-0.119
H5	1.405	0.643	0.045
H6	-1.405	-0.643	0.045
H7	-1.325	1.783	-0.039
H8	1.325	-1.783	-0.039
H9	0.008	2.529	0.576
H10	-0.008	-2.529	0.576

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3446	1.4186	2.4579	1.0929	2.1173	2.0247	2.5851	2.0297	3.1857
C2	1.3446		2.4579	1.4186	2.1173	1.0929	2.5851	2.0247	3.1857	2.0297
N3	1.4186	2.4579		3.7677	2.1106	2.7332	1.0176	3.9925	1.0182	4.4521
N4	2.4579	1.4186	3.7677		2.7332	2.1106	3.9925	1.0176	4.4521	1.0182
H5	1.0929	2.1173	2.1106	2.7332		3.0898	2.9593	2.4280	2.4070	3.5126
H6	2.1173	1.0929	2.7332	2.1106	3.0898		2.4280	2.9593	3.5126	2.4070
H7	2.0247	2.5851	1.0176	3.9925	2.9593	2.4280		4.4418	1.6463	4.5502
H8	2.5851	2.0247	3.9925	1.0176	2.4280	2.9593	4.4418		4.5502	1.6463
H9	2.0297	3.1857	1.0182	4.4521	2.4070	3.5126	1.6463	4.5502		5.0587
H10	3.1857	2.0297	4.4521	1.0182	3.5126	2.4070	4.5502	1.6463	5.0587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.602	C1	C2	H6	120.257
C1	N3	H7	111.354	C1	N3	H9	111.753
C2	C1	N3	125.602	C2	C1	H5	120.257
C2	N4	H8	111.354	C2	N4	H10	111.753
N3	C1	H5	113.728	N4	C2	H6	113.728
H7	N3	H9	107.933	H8	N4	H10	107.933

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/6-31G(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	-0.039
2	C	-0.039
3	N	-0.514
4	N	-0.514
5	H	0.079
6	H	0.079
7	H	0.236
8	H	0.236
9	H	0.238
10	H	0.238

	x	y	z	Total
	0.000	0.000	2.052	2.052
CHELPG
AIM
ESP

	x	y	z
x	5.504	-0.024	0.000
y	-0.024	9.008	0.000
z	0.000	0.000	3.250

<r²>	98.048
(<r²>)^1/2	9.902

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)