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	hartrees
Energy at 0K	-189.234018
Energy at 298.15K
HF Energy	-189.234018
Nuclear repulsion energy	117.054272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3524	3474	0.20
2	A	3426	3377	0.20
3	A	3075	3031	0.01
4	A	1705	1680	0.08
5	A	1618	1595	22.58
6	A	1306	1288	0.66
7	A	1260	1242	0.00
8	A	1018	1003	0.87
9	A	894	881	79.42
10	A	802	791	124.12
11	A	544	537	0.92
12	A	331	327	0.93
13	A	244	240	18.10
14	B	3523	3473	1.14
15	B	3423	3374	3.20
16	B	3079	3035	66.65
17	B	1626	1602	43.23
18	B	1368	1348	8.43
19	B	1152	1136	88.17
20	B	1114	1098	1.27
21	B	763	752	220.02
22	B	735	725	223.99
23	B	351	346	40.61
24	B	250	247	88.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.596	0.046
C2	-0.313	-0.596	0.046
N3	-0.313	1.858	-0.119
N4	0.313	-1.858	-0.119
H5	1.405	0.641	0.048
H6	-1.405	-0.641	0.048
H7	-1.326	1.787	-0.061
H8	1.326	-1.787	-0.061
H9	0.005	2.537	0.569
H10	-0.005	-2.537	0.569

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3462	1.4184	2.4589	1.0923	2.1167	2.0294	2.5917	2.0338	3.1919
C2	1.3462		2.4589	1.4184	2.1167	1.0923	2.5917	2.0294	3.1919	2.0338
N3	1.4184	2.4589		3.7677	2.1117	2.7316	1.0170	3.9970	1.0175	4.4587
N4	2.4589	1.4184	3.7677		2.7316	2.1117	3.9970	1.0170	4.4587	1.0175
H5	1.0923	2.1167	2.1117	2.7316		3.0879	2.9636	2.4320	2.4137	3.5152
H6	2.1167	1.0923	2.7316	2.1117	3.0879		2.4320	2.9636	3.5152	2.4137
H7	2.0294	2.5917	1.0170	3.9970	2.9636	2.4320		4.4511	1.6520	4.5652
H8	2.5917	2.0294	3.9970	1.0170	2.4320	2.9636	4.4511		4.5652	1.6520
H9	2.0338	3.1919	1.0175	4.4587	2.4137	3.5152	1.6520	4.5652		5.0738
H10	3.1919	2.0338	4.4587	1.0175	3.5152	2.4137	4.5652	1.6520	5.0738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.585	C1	C2	H6	120.099
C1	N3	H7	111.825	C1	N3	H9	112.169
C2	C1	N3	125.585	C2	C1	H5	120.099
C2	N4	H8	111.825	C2	N4	H10	112.169
N3	C1	H5	113.874	N4	C2	H6	113.874
H7	N3	H9	108.587	H8	N4	H10	108.587

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/6-311G**

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	-0.058
2	C	-0.058
3	N	-0.420
4	N	-0.420
5	H	0.088
6	H	0.088
7	H	0.192
8	H	0.192
9	H	0.198
10	H	0.198

	x	y	z	Total
	0.000	0.000	2.127	2.127
CHELPG
AIM
ESP

	x	y	z
x	5.643	0.065	0.000
y	0.065	9.232	0.000
z	0.000	0.000	3.473

<r²>	98.359
(<r²>)^1/2	9.918

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)