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	hartrees
Energy at 0K	-189.062539
Energy at 298.15K
HF Energy	-189.062539
Nuclear repulsion energy	116.826197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3520	3472	0.23
2	A	3413	3366	0.41
3	A	3080	3038	0.14
4	A	1719	1695	0.42
5	A	1597	1575	21.88
6	A	1295	1277	0.68
7	A	1259	1242	0.00
8	A	1018	1004	0.75
9	A	896	884	54.04
10	A	799	788	139.04
11	A	543	536	1.19
12	A	338	333	0.01
13	A	247	244	20.13
14	B	3519	3471	1.60
15	B	3410	3363	3.42
16	B	3082	3040	54.94
17	B	1605	1583	39.70
18	B	1354	1336	11.12
19	B	1176	1160	77.11
20	B	1097	1082	0.79
21	B	757	747	208.96
22	B	726	716	242.74
23	B	354	350	56.20
24	B	254	250	82.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.599	0.047
C2	-0.313	-0.599	0.047
N3	-0.313	1.859	-0.121
N4	0.313	-1.859	-0.121
H5	1.411	0.646	0.051
H6	-1.411	-0.646	0.051
H7	-1.332	1.782	-0.063
H8	1.332	-1.782	-0.063
H9	-0.003	2.540	0.578
H10	0.003	-2.540	0.578

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3518	1.4171	2.4632	1.0982	2.1263	2.0299	2.5924	2.0366	3.1981
C2	1.3518		2.4632	1.4171	2.1263	1.0982	2.5924	2.0299	3.1981	2.0366
N3	1.4171	2.4632		3.7697	2.1149	2.7395	1.0231	3.9960	1.0239	4.4645
N4	2.4632	1.4171	3.7697		2.7395	2.1149	3.9960	1.0231	4.4645	1.0239
H5	1.0982	2.1263	2.1149	2.7395		3.1027	2.9710	2.4321	2.4209	3.5222
H6	2.1263	1.0982	2.7395	2.1149	3.1027		2.4321	2.9710	3.5222	2.4209
H7	2.0299	2.5924	1.0231	3.9960	2.9710	2.4321		4.4504	1.6588	4.5685
H8	2.5924	2.0299	3.9960	1.0231	2.4321	2.9710	4.4504		4.5685	1.6588
H9	2.0366	3.1981	1.0239	4.4645	2.4209	3.5222	1.6588	4.5685		5.0791
H10	3.1981	2.0366	4.4645	1.0239	3.5222	2.4209	4.5685	1.6588	5.0791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.626	C1	C2	H6	120.074
C1	N3	H7	111.569	C1	N3	H9	112.096
C2	C1	N3	125.626	C2	C1	H5	120.074
C2	N4	H8	111.569	C2	N4	H10	112.096
N3	C1	H5	113.855	N4	C2	H6	113.855
H7	N3	H9	108.267	H8	N4	H10	108.267

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/6-31G**

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	0.011
2	C	0.011
3	N	-0.593
4	N	-0.593
5	H	0.084
6	H	0.084
7	H	0.247
8	H	0.247
9	H	0.251
10	H	0.251

	x	y	z	Total
	0.000	0.000	2.242	2.242
CHELPG
AIM
ESP

	x	y	z
x	5.370	-0.009	0.000
y	-0.009	8.973	0.000
z	0.000	0.000	2.791

<r²>	98.390
(<r²>)^1/2	9.919

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)