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	hartrees
Energy at 0K	-189.273165
Energy at 298.15K
HF Energy	-189.273165
Nuclear repulsion energy	118.210239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3654	3654	2.64
2	A	3559	3559	0.52
3	A	3159	3159	0.06
4	A	1776	1776	0.56
5	A	1641	1641	19.58
6	A	1337	1337	0.35
7	A	1285	1285	0.01
8	A	1034	1034	0.04
9	A	939	939	66.96
10	A	767	767	139.28
11	A	552	552	2.74
12	A	329	329	4.57
13	A	241	241	14.75
14	B	3653	3653	11.16
15	B	3557	3557	5.76
16	B	3163	3163	44.88
17	B	1648	1648	58.93
18	B	1390	1390	11.55
19	B	1190	1190	135.35
20	B	1118	1118	1.47
21	B	827	827	49.47
22	B	709	709	306.18
23	B	340	340	35.68
24	B	242	242	96.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.587	0.034
C2	-0.311	-0.587	0.034
N3	-0.311	1.838	-0.106
N4	0.311	-1.838	-0.106
H5	1.394	0.629	0.035
H6	-1.394	-0.629	0.035
H7	-1.316	1.788	-0.048
H8	1.316	-1.788	-0.048
H9	0.029	2.525	0.549
H10	-0.029	-2.525	0.549

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3289	1.4038	2.4294	1.0839	2.0941	2.0240	2.5808	2.0252	3.1733
C2	1.3289		2.4294	1.4038	2.0941	1.0839	2.5808	2.0240	3.1733	2.0252
N3	1.4038	2.4294		3.7285	2.0949	2.6979	1.0081	3.9751	1.0080	4.4214
N4	2.4294	1.4038	3.7285		2.6979	2.0949	3.9751	1.0081	4.4214	1.0080
H5	1.0839	2.0941	2.0949	2.6979		3.0584	2.9489	2.4198	2.3927	3.4982
H6	2.0941	1.0839	2.6979	2.0949	3.0584		2.4198	2.9489	3.4982	2.3927
H7	2.0240	2.5808	1.0081	3.9751	2.9489	2.4198		4.4408	1.6460	4.5412
H8	2.5808	2.0240	3.9751	1.0081	2.4198	2.9489	4.4408		4.5412	1.6460
H9	2.0252	3.1733	1.0080	4.4214	2.3927	3.4982	1.6460	4.5412		5.0511
H10	3.1733	2.0252	4.4214	1.0080	3.4982	2.3927	4.5412	1.6460	5.0511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.475	C1	C2	H6	120.087
C1	N3	H7	113.075	C1	N3	H9	113.190
C2	C1	N3	125.475	C2	C1	H5	120.087
C2	N4	H8	113.075	C2	N4	H10	113.190
N3	C1	H5	114.114	N4	C2	H6	114.114
H7	N3	H9	109.453	H8	N4	H10	109.453

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/6-311+G(3df,2p)

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	0.293
2	C	0.293
3	N	-0.860
4	N	-0.860
5	H	0.146
6	H	0.146
7	H	0.208
8	H	0.208
9	H	0.213
10	H	0.213

	x	y	z	Total
	0.000	0.000	1.995	1.995
CHELPG
AIM
ESP

	x	y	z
x	6.073	0.049	0.000
y	0.049	9.767	0.000
z	0.000	0.000	5.015

<r²>	97.131
(<r²>)^1/2	9.856

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)