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	hartrees
Energy at 0K	-188.953669
Energy at 298.15K
HF Energy	-188.818343
Nuclear repulsion energy	116.953703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3722	2.69
2	A	3597	3597	0.58
3	A	3183	3183	0.23
4	A	1764	1764	0.58
5	A	1721	1721	13.59
6	A	1374	1374	1.49
7	A	1299	1299	0.96
8	A	1031	1031	0.78
9	A	944	944	67.53
10	A	579	579	134.75
11	A	532	532	329.74
12	A	344	344	4.47
13	A	240	240	34.62
14	B	3721	3721	5.92
15	B	3595	3595	10.30
16	B	3185	3185	63.25
17	B	1725	1725	86.22
18	B	1421	1421	5.37
19	B	1208	1208	148.38
20	B	1133	1133	5.77
21	B	799	799	25.59
22	B	485	485	320.77
23	B	331	331	10.65
24	B	192	192	184.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.595	0.049
C2	-0.318	-0.595	0.049
N3	-0.318	1.852	-0.085
N4	0.318	-1.852	-0.085
H5	1.405	0.641	0.060
H6	-1.405	-0.641	0.060
H7	-1.315	1.857	-0.237
H8	1.315	-1.857	-0.237
H9	0.027	2.616	0.476
H10	-0.027	-2.616	0.476

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3497	1.4145	2.4513	1.0882	2.1204	2.0833	2.6635	2.0859	3.2583
C2	1.3497		2.4513	1.4145	2.1204	1.0882	2.6635	2.0833	3.2583	2.0859
N3	1.4145	2.4513		3.7584	2.1103	2.7241	1.0091	4.0559	1.0085	4.5131
N4	2.4513	1.4145	3.7584		2.7241	2.1103	4.0559	1.0091	4.5131	1.0085
H5	1.0882	2.1204	2.1103	2.7241		3.0884	2.9941	2.5181	2.4440	3.5825
H6	2.1204	1.0882	2.7241	2.1103	3.0884		2.5181	2.9941	3.5825	2.4440
H7	2.0833	2.6635	1.0091	4.0559	2.9941	2.5181		4.5517	1.6984	4.7101
H8	2.6635	2.0833	4.0559	1.0091	2.5181	2.9941	4.5517		4.7101	1.6984
H9	2.0859	3.2583	1.0085	4.5131	2.4440	3.5825	1.6984	4.7101		5.2331
H10	3.2583	2.0859	4.5131	1.0085	3.5825	2.4440	4.7101	1.6984	5.2331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.935	C1	C2	H6	120.486
C1	N3	H7	117.572	C1	N3	H9	117.858
C2	C1	N3	124.935	C2	C1	H5	120.486
C2	N4	H8	117.572	C2	N4	H10	117.858
N3	C1	H5	114.336	N4	C2	H6	114.336
H7	N3	H9	114.666	H8	N4	H10	114.666

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)