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	hartrees
Energy at 0K	-189.046443
Energy at 298.15K
HF Energy	-189.046443
Nuclear repulsion energy	116.739268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3490	3441	0.10
2	A	3386	3338	0.35
3	A	3081	3037	0.16
4	A	1723	1699	0.14
5	A	1627	1604	25.03
6	A	1304	1286	0.71
7	A	1269	1251	0.00
8	A	1027	1012	1.54
9	A	899	886	58.95
10	A	825	813	137.05
11	A	543	535	1.11
12	A	341	336	0.02
13	A	249	246	20.65
14	B	3489	3439	1.82
15	B	3384	3335	5.09
16	B	3084	3040	57.02
17	B	1635	1612	39.45
18	B	1366	1347	10.54
19	B	1180	1163	70.34
20	B	1109	1093	0.76
21	B	771	760	404.53
22	B	737	727	67.23
23	B	357	352	61.66
24	B	257	253	79.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.599	0.049
C2	-0.313	-0.599	0.049
N3	-0.313	1.860	-0.122
N4	0.313	-1.860	-0.122
H5	1.411	0.649	0.051
H6	-1.411	-0.649	0.051
H7	-1.334	1.782	-0.066
H8	1.334	-1.782	-0.066
H9	-0.007	2.540	0.581
H10	0.007	-2.540	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3520	1.4182	2.4647	1.0989	2.1284	2.0311	2.5930	2.0382	3.1989
C2	1.3520		2.4647	1.4182	2.1284	1.0989	2.5930	2.0311	3.1989	2.0382
N3	1.4182	2.4647		3.7719	2.1142	2.7437	1.0249	3.9973	1.0257	4.4674
N4	2.4647	1.4182	3.7719		2.7437	2.1142	3.9973	1.0249	4.4674	1.0257
H5	1.0989	2.1284	2.1142	2.7437		3.1061	2.9718	2.4348	2.4225	3.5247
H6	2.1284	1.0989	2.7437	2.1142	3.1061		2.4348	2.9718	3.5247	2.4225
H7	2.0311	2.5930	1.0249	3.9973	2.9718	2.4348		4.4517	1.6599	4.5715
H8	2.5930	2.0311	3.9973	1.0249	2.4348	2.9718	4.4517		4.5715	1.6599
H9	2.0382	3.1989	1.0257	4.4674	2.4225	3.5247	1.6599	4.5715		5.0807
H10	3.1989	2.0382	4.4674	1.0257	3.5247	2.4225	4.5715	1.6599	5.0807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.658	C1	C2	H6	120.203
C1	N3	H7	111.462	C1	N3	H9	112.026
C2	C1	N3	125.658	C2	C1	H5	120.203
C2	N4	H8	111.462	C2	N4	H10	112.026
N3	C1	H5	113.667	N4	C2	H6	113.667
H7	N3	H9	108.088	H8	N4	H10	108.088

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/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	-0.029
2	C	-0.029
3	N	-0.708
4	N	-0.708
5	H	0.122
6	H	0.122
7	H	0.307
8	H	0.307
9	H	0.308
10	H	0.308

	x	y	z	Total
	0.000	0.000	2.324	2.324
CHELPG
AIM
ESP

	x	y	z
x	5.298	-0.008	0.000
y	-0.008	8.923	0.000
z	0.000	0.000	2.730

<r²>	98.532
(<r²>)^1/2	9.926

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)