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	hartrees
Energy at 0K	-189.220194
Energy at 298.15K
HF Energy	-189.220194
Nuclear repulsion energy	116.385103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3471	3444	0.00
2	A	3370	3344	0.00
3	A	3066	3042	0.11
4	A	1699	1686	0.19
5	A	1606	1593	20.23
6	A	1304	1294	0.71
7	A	1251	1241	0.04
8	A	1012	1005	1.33
9	A	903	896	50.43
10	A	809	803	124.76
11	A	539	535	0.63
12	A	334	332	0.02
13	A	248	246	17.97
14	B	3470	3443	2.45
15	B	3367	3341	7.91
16	B	3069	3046	58.70
17	B	1612	1600	31.63
18	B	1362	1352	10.38
19	B	1144	1136	65.03
20	B	1104	1096	1.37
21	B	762	756	294.71
22	B	737	731	160.38
23	B	354	351	51.78
24	B	259	257	77.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.599	0.045
C2	-0.315	-0.599	0.045
N3	-0.315	1.868	-0.121
N4	0.315	-1.868	-0.121
H5	1.410	0.648	0.049
H6	-1.410	-0.648	0.049
H7	-1.335	1.794	-0.055
H8	1.335	-1.794	-0.055
H9	-0.001	2.546	0.582
H10	0.001	-2.546	0.582

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3527	1.4271	2.4727	1.0968	2.1288	2.0397	2.6031	2.0446	3.2054
C2	1.3527		2.4727	1.4271	2.1288	1.0968	2.6031	2.0397	3.2054	2.0446
N3	1.4271	2.4727		3.7896	2.1200	2.7503	1.0247	4.0176	1.0258	4.4812
N4	2.4727	1.4271	3.7896		2.7503	2.1200	4.0176	1.0247	4.4812	1.0258
H5	1.0968	2.1288	2.1200	2.7503		3.1048	2.9766	2.4461	2.4243	3.5319
H6	2.1288	1.0968	2.7503	2.1200	3.1048		2.4461	2.9766	3.5319	2.4243
H7	2.0397	2.6031	1.0247	4.0176	2.9766	2.4461		4.4725	1.6582	4.5856
H8	2.6031	2.0397	4.0176	1.0247	2.4461	2.9766	4.4725		4.5856	1.6582
H9	2.0446	3.2054	1.0258	4.4812	2.4243	3.5319	1.6582	4.5856		5.0917
H10	3.2054	2.0446	4.4812	1.0258	3.5319	2.4243	4.5856	1.6582	5.0917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.604	C1	C2	H6	120.343
C1	N3	H7	111.540	C1	N3	H9	111.885
C2	C1	N3	125.604	C2	C1	H5	120.343
C2	N4	H8	111.540	C2	N4	H10	111.885
N3	C1	H5	113.626	N4	C2	H6	113.626
H7	N3	H9	107.934	H8	N4	H10	107.934

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/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	0.050
2	C	0.050
3	N	-0.560
4	N	-0.560
5	H	0.051
6	H	0.051
7	H	0.227
8	H	0.227
9	H	0.231
10	H	0.231

	x	y	z	Total
	0.000	0.000	2.237	2.237
CHELPG
AIM
ESP

	x	y	z
x	5.405	-0.006	0.000
y	-0.006	9.012	0.000
z	0.000	0.000	2.786

<r²>	99.226
(<r²>)^1/2	9.961

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)