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	hartrees
Energy at 0K	-189.338284
Energy at 298.15K
HF Energy	-189.338284
Nuclear repulsion energy	117.283945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3564	3433	0.00
2	A	3471	3344	0.11
3	A	3132	3017	0.02
4	A	1753	1689	0.61
5	A	1694	1632	30.86
6	A	1344	1294	0.64
7	A	1293	1246	0.01
8	A	1042	1003	1.55
9	A	933	898	83.21
10	A	847	815	135.81
11	A	547	527	1.29
12	A	338	325	0.32
13	A	254	245	20.49
14	B	3564	3433	1.75
15	B	3469	3342	5.54
16	B	3135	3020	66.21
17	B	1707	1644	50.70
18	B	1408	1356	8.09
19	B	1174	1131	79.26
20	B	1139	1097	1.75
21	B	800	771	364.13
22	B	766	738	127.89
23	B	353	340	56.76
24	B	250	241	89.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.046
C2	-0.312	-0.593	0.046
N3	-0.312	1.855	-0.118
N4	0.312	-1.855	-0.118
H5	1.400	0.643	0.046
H6	-1.400	-0.643	0.046
H7	-1.324	1.785	-0.074
H8	1.324	-1.785	-0.074
H9	-0.004	2.526	0.579
H10	0.004	-2.526	0.579

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3407	1.4173	2.4535	1.0891	2.1120	2.0278	2.5872	2.0300	3.1797
C2	1.3407		2.4535	1.4173	2.1120	1.0891	2.5872	2.0278	3.1797	2.0300
N3	1.4173	2.4535		3.7619	2.1041	2.7295	1.0152	3.9909	1.0158	4.4476
N4	2.4535	1.4173	3.7619		2.7295	2.1041	3.9909	1.0152	4.4476	1.0158
H5	1.0891	2.1120	2.1041	2.7295		3.0815	2.9562	2.4321	2.4086	3.5043
H6	2.1120	1.0891	2.7295	2.1041	3.0815		2.4321	2.9562	3.5043	2.4086
H7	2.0278	2.5872	1.0152	3.9909	2.9562	2.4321		4.4447	1.6491	4.5581
H8	2.5872	2.0278	3.9909	1.0152	2.4321	2.9562	4.4447		4.5581	1.6491
H9	2.0300	3.1797	1.0158	4.4476	2.4086	3.5043	1.6491	4.5581		5.0528
H10	3.1797	2.0300	4.4476	1.0158	3.5043	2.4086	4.5581	1.6491	5.0528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.632	C1	C2	H6	120.385
C1	N3	H7	111.882	C1	N3	H9	112.034
C2	C1	N3	125.632	C2	C1	H5	120.385
C2	N4	H8	111.882	C2	N4	H10	112.034
N3	C1	H5	113.532	N4	C2	H6	113.532
H7	N3	H9	108.571	H8	N4	H10	108.571

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	-0.070
2	C	-0.070
3	N	-0.743
4	N	-0.743
5	H	0.184
6	H	0.184
7	H	0.316
8	H	0.316
9	H	0.314
10	H	0.314

	x	y	z	Total
	0.000	0.000	2.318	2.318
CHELPG
AIM
ESP

	x	y	z
x	5.413	0.126	0.000
y	0.126	8.893	0.000
z	0.000	0.000	3.315

<r²>	98.109
(<r²>)^1/2	9.905

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)