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	hartrees
Energy at 0K	-189.193063
Energy at 298.15K
HF Energy	-189.193063
Nuclear repulsion energy	117.592724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3430	1.18
2	A	3523	3336	2.95
3	A	3183	3014	0.09
4	A	1812	1716	0.07
5	A	1680	1591	29.33
6	A	1349	1277	0.62
7	A	1304	1235	0.00
8	A	1062	1006	0.92
9	A	958	907	59.59
10	A	857	812	157.49
11	A	562	533	1.18
12	A	344	326	0.16
13	A	265	251	20.36
14	B	3621	3429	3.58
15	B	3522	3335	0.51
16	B	3184	3015	46.51
17	B	1689	1600	55.82
18	B	1406	1332	10.48
19	B	1212	1147	86.70
20	B	1143	1083	0.60
21	B	840	796	199.47
22	B	775	734	273.79
23	B	353	335	53.80
24	B	268	254	92.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.589	0.032
C2	-0.313	-0.589	0.032
N3	-0.313	1.850	-0.109
N4	0.313	-1.850	-0.109
H5	1.401	0.633	0.032
H6	-1.401	-0.633	0.032
H7	-1.324	1.771	-0.060
H8	1.324	-1.771	-0.060
H9	-0.005	2.508	0.600
H10	0.005	-2.508	0.600

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3348	1.4142	2.4431	1.0892	2.1054	2.0215	2.5698	2.0263	3.1643
C2	1.3348		2.4431	1.4142	2.1054	1.0892	2.5698	2.0215	3.1643	2.0263
N3	1.4142	2.4431		3.7518	2.1071	2.7140	1.0157	3.9742	1.0159	4.4266
N4	2.4431	1.4142	3.7518		2.7140	2.1071	3.9742	1.0157	4.4266	1.0159
H5	1.0892	2.1054	2.1071	2.7140		3.0751	2.9555	2.4068	2.4123	3.4839
H6	2.1054	1.0892	2.7140	2.1071	3.0751		2.4068	2.9555	3.4839	2.4123
H7	2.0215	2.5698	1.0157	3.9742	2.9555	2.4068		4.4233	1.6490	4.5295
H8	2.5698	2.0215	3.9742	1.0157	2.4068	2.9555	4.4233		4.5295	1.6490
H9	2.0263	3.1643	1.0159	4.4266	2.4123	3.4839	1.6490	4.5295		5.0163
H10	3.1643	2.0263	4.4266	1.0159	3.4839	2.4123	4.5295	1.6490	5.0163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.403	C1	C2	H6	120.249
C1	N3	H7	111.544	C1	N3	H9	111.950
C2	C1	N3	125.403	C2	C1	H5	120.249
C2	N4	H8	111.544	C2	N4	H10	111.950
N3	C1	H5	114.015	N4	C2	H6	114.015
H7	N3	H9	108.524	H8	N4	H10	108.524

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	-0.020
2	C	-0.020
3	N	-0.774
4	N	-0.774
5	H	0.143
6	H	0.143
7	H	0.324
8	H	0.324
9	H	0.327
10	H	0.327

	x	y	z	Total
	0.000	0.000	2.492	2.492
CHELPG
AIM
ESP

	x	y	z
x	5.109	0.152	0.000
y	0.152	8.167	0.000
z	0.000	0.000	2.650

<r²>	97.471
(<r²>)^1/2	9.873

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)