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	hartrees
Energy at 0K	-189.144731
Energy at 298.15K
HF Energy	-189.144731
Nuclear repulsion energy	117.536261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3782	6.92
2	A	3656	3656	0.98
3	A	3191	3191	0.20
4	A	1812	1812	2.67
5	A	1699	1699	6.81
6	A	1369	1369	1.50
7	A	1299	1299	1.56
8	A	1027	1027	0.38
9	A	964	964	77.39
10	A	580	580	25.38
11	A	464	464	524.55
12	A	360	360	43.56
13	A	257	257	37.03
14	B	3781	3781	20.57
15	B	3654	3654	31.75
16	B	3193	3193	56.52
17	B	1702	1702	126.13
18	B	1410	1410	11.03
19	B	1238	1238	182.75
20	B	1113	1113	6.04
21	B	853	853	23.78
22	B	414	414	207.06
23	B	330	330	9.16
24	B	192	192	198.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	0.591	0.049
C2	-0.316	-0.591	0.049
N3	-0.316	1.839	-0.072
N4	0.316	-1.839	-0.072
H5	1.403	0.630	0.066
H6	-1.403	-0.630	0.066
H7	-1.297	1.870	-0.292
H8	1.297	-1.870	-0.292
H9	0.053	2.628	0.431
H10	-0.053	-2.628	0.431

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3403	1.4045	2.4331	1.0874	2.1084	2.0872	2.6715	2.0892	3.2624
C2	1.3403		2.4331	1.4045	2.1084	1.0874	2.6715	2.0872	3.2624	2.0892
N3	1.4045	2.4331		3.7323	2.1059	2.7013	1.0061	4.0512	1.0055	4.5031
N4	2.4331	1.4045	3.7323		2.7013	2.1059	4.0512	1.0061	4.5031	1.0055
H5	1.0874	2.1084	2.1059	2.7013		3.0754	2.9927	2.5281	2.4384	3.5873
H6	2.1084	1.0874	2.7013	2.1059	3.0754		2.5281	2.9927	3.5873	2.4384
H7	2.0872	2.6715	1.0061	4.0512	2.9927	2.5281		4.5525	1.7089	4.7229
H8	2.6715	2.0872	4.0512	1.0061	2.5281	2.9927	4.5525		4.7229	1.7089
H9	2.0892	3.2624	1.0055	4.5031	2.4384	3.5873	1.7089	4.7229		5.2572
H10	3.2624	2.0892	4.5031	1.0055	3.5873	2.4384	4.7229	1.7089	5.2572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.847	C1	C2	H6	120.209
C1	N3	H7	119.034	C1	N3	H9	119.275
C2	C1	N3	124.847	C2	C1	H5	120.209
C2	N4	H8	119.034	C2	N4	H10	119.275
N3	C1	H5	114.773	N4	C2	H6	114.773
H7	N3	H9	116.317	H8	N4	H10	116.317

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/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	0.038
2	C	0.038
3	N	-0.807
4	N	-0.807
5	H	0.134
6	H	0.134
7	H	0.318
8	H	0.318
9	H	0.317
10	H	0.317

	x	y	z	Total
	0.000	0.000	1.344	1.344
CHELPG
AIM
ESP

	x	y	z
x	4.785	0.239	0.000
y	0.239	8.119	0.000
z	0.000	0.000	2.095

<r²>	97.896
(<r²>)^1/2	9.894

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)