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	hartrees
Energy at 0K	-189.263250
Energy at 298.15K
HF Energy	-189.263250
Nuclear repulsion energy	117.288406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3536	3487	0.98
2	A	3439	3392	0.09
3	A	3082	3039	0.05
4	A	1701	1677	0.42
5	A	1614	1592	17.63
6	A	1309	1291	0.55
7	A	1256	1238	0.00
8	A	1013	1000	0.82
9	A	898	886	68.53
10	A	785	774	120.78
11	A	545	538	1.03
12	A	328	323	2.32
13	A	238	235	16.78
14	B	3535	3486	2.21
15	B	3437	3390	0.76
16	B	3087	3044	55.02
17	B	1620	1598	39.35
18	B	1368	1349	9.80
19	B	1147	1131	99.97
20	B	1109	1094	1.75
21	B	772	761	105.24
22	B	725	715	303.86
23	B	349	344	36.93
24	B	250	246	87.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.044
C2	-0.313	-0.594	0.044
N3	-0.313	1.853	-0.116
N4	0.313	-1.853	-0.116
H5	1.403	0.639	0.047
H6	-1.403	-0.639	0.047
H7	-1.324	1.792	-0.054
H8	1.324	-1.792	-0.054
H9	0.015	2.541	0.554
H10	-0.015	-2.541	0.554

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3425	1.4156	2.4517	1.0902	2.1126	2.0315	2.5928	2.0347	3.1926
C2	1.3425		2.4517	1.4156	2.1126	1.0902	2.5928	2.0315	3.1926	2.0347
N3	1.4156	2.4517		3.7583	2.1082	2.7242	1.0147	3.9962	1.0149	4.4545
N4	2.4517	1.4156	3.7583		2.7242	2.1082	3.9962	1.0147	4.4545	1.0149
H5	1.0902	2.1126	2.1082	2.7242		3.0824	2.9623	2.4341	2.4082	3.5183
H6	2.1126	1.0902	2.7242	2.1082	3.0824		2.4341	2.9623	3.5183	2.4082
H7	2.0315	2.5928	1.0147	3.9962	2.9623	2.4341		4.4562	1.6508	4.5668
H8	2.5928	2.0315	3.9962	1.0147	2.4341	2.9623	4.4562		4.5668	1.6508
H9	2.0347	3.1926	1.0149	4.4545	2.4082	3.5183	1.6508	4.5668		5.0819
H10	3.1926	2.0347	4.4545	1.0149	3.5183	2.4082	4.5668	1.6508	5.0819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.461	C1	C2	H6	120.194
C1	N3	H7	112.373	C1	N3	H9	112.637
C2	C1	N3	125.461	C2	C1	H5	120.194
C2	N4	H8	112.373	C2	N4	H10	112.637
N3	C1	H5	113.929	N4	C2	H6	113.929
H7	N3	H9	108.851	H8	N4	H10	108.851

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/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	-0.024
2	C	-0.024
3	N	-0.280
4	N	-0.280
5	H	0.037
6	H	0.037
7	H	0.128
8	H	0.128
9	H	0.139
10	H	0.139

	x	y	z	Total
	0.000	0.000	1.940	1.940
CHELPG
AIM
ESP

	x	y	z
x	6.091	-0.004	0.000
y	-0.004	9.925	0.000
z	0.000	0.000	4.583

<r²>	98.298
(<r²>)^1/2	9.915

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)