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	hartrees
Energy at 0K	-189.353453
Energy at 298.15K
HF Energy	-189.353453
Nuclear repulsion energy	117.305004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3568	0.30
2	A	3474	3474	0.55
3	A	3132	3132	0.00
4	A	1743	1743	0.09
5	A	1650	1650	24.40
6	A	1334	1334	0.62
7	A	1283	1283	0.00
8	A	1032	1032	0.50
9	A	933	933	78.38
10	A	822	822	129.93
11	A	546	546	1.19
12	A	335	335	1.01
13	A	252	252	17.48
14	B	3567	3567	0.85
15	B	3472	3472	1.09
16	B	3136	3136	57.74
17	B	1658	1658	44.64
18	B	1393	1393	8.71
19	B	1171	1171	92.29
20	B	1126	1126	1.67
21	B	794	794	153.20
22	B	755	755	297.42
23	B	349	349	49.81
24	B	248	248	84.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.593	0.042
C2	-0.313	-0.593	0.042
N3	-0.313	1.854	-0.116
N4	0.313	-1.854	-0.116
H5	1.400	0.640	0.042
H6	-1.400	-0.640	0.042
H7	-1.324	1.786	-0.056
H8	1.324	-1.786	-0.056
H9	0.008	2.529	0.572
H10	-0.008	-2.529	0.572

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3406	1.4170	2.4522	1.0883	2.1105	2.0279	2.5863	2.0305	3.1826
C2	1.3406		2.4522	1.4170	2.1105	1.0883	2.5863	2.0279	3.1826	2.0305
N3	1.4170	2.4522		3.7609	2.1059	2.7254	1.0153	3.9915	1.0159	4.4475
N4	2.4522	1.4170	3.7609		2.7254	2.1059	3.9915	1.0153	4.4475	1.0159
H5	1.0883	2.1105	2.1059	2.7254		3.0790	2.9571	2.4286	2.4061	3.5078
H6	2.1105	1.0883	2.7254	2.1059	3.0790		2.4286	2.9571	3.5078	2.4061
H7	2.0279	2.5863	1.0153	3.9915	2.9571	2.4286		4.4459	1.6496	4.5545
H8	2.5863	2.0279	3.9915	1.0153	2.4286	2.9571	4.4459		4.5545	1.6496
H9	2.0305	3.1826	1.0159	4.4475	2.4061	3.5078	1.6496	4.5545		5.0580
H10	3.1826	2.0305	4.4475	1.0159	3.5078	2.4061	4.5545	1.6496	5.0580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.526	C1	C2	H6	120.306
C1	N3	H7	111.902	C1	N3	H9	112.093
C2	C1	N3	125.526	C2	C1	H5	120.306
C2	N4	H8	111.902	C2	N4	H10	112.093
N3	C1	H5	113.750	N4	C2	H6	113.750
H7	N3	H9	108.603	H8	N4	H10	108.603

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/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	-0.048
2	C	-0.048
3	N	-0.441
4	N	-0.441
5	H	0.094
6	H	0.094
7	H	0.195
8	H	0.195
9	H	0.200
10	H	0.200

	x	y	z	Total
	0.000	0.000	2.182	2.182
CHELPG
AIM
ESP

	x	y	z
x	5.520	0.117	0.000
y	0.117	8.990	0.000
z	0.000	0.000	3.437

<r²>	98.013
(<r²>)^1/2	9.900

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)