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	hartrees
Energy at 0K	-189.189716
Energy at 298.15K
HF Energy	-188.955329
Nuclear repulsion energy	117.634549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3629	3629	1.81
2	A	3531	3531	1.21
3	A	3170	3170	0.06
4	A	1752	1752	0.58
5	A	1657	1657	24.67
6	A	1350	1350	0.38
7	A	1288	1288	0.00
8	A	1039	1039	0.71
9	A	929	929	76.79
10	A	807	807	155.87
11	A	557	557	1.51
12	A	324	324	2.83
13	A	245	245	18.27
14	B	3628	3628	4.58
15	B	3529	3529	2.69
16	B	3174	3174	46.06
17	B	1664	1664	58.64
18	B	1406	1406	6.34
19	B	1175	1175	105.58
20	B	1139	1139	1.47
21	B	799	799	122.70
22	B	746	746	292.95
23	B	341	341	30.69
24	B	246	246	107.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.041
C2	-0.313	-0.590	0.041
N3	-0.313	1.848	-0.111
N4	0.313	-1.848	-0.111
H5	1.397	0.634	0.041
H6	-1.397	-0.634	0.041
H7	-1.322	1.789	-0.077
H8	1.322	-1.789	-0.077
H9	0.005	2.528	0.566
H10	-0.005	-2.528	0.566

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3354	1.4140	2.4429	1.0848	2.1026	2.0311	2.5867	2.0321	3.1781
C2	1.3354		2.4429	1.4140	2.1026	1.0848	2.5867	2.0311	3.1781	2.0321
N3	1.4140	2.4429		3.7496	2.1031	2.7128	1.0110	3.9883	1.0109	4.4396
N4	2.4429	1.4140	3.7496		2.7128	2.1031	3.9883	1.0110	4.4396	1.0109
H5	1.0848	2.1026	2.1031	2.7128		3.0679	2.9565	2.4270	2.4087	3.4987
H6	2.1026	1.0848	2.7128	2.1031	3.0679		2.4270	2.9565	3.4987	2.4087
H7	2.0311	2.5867	1.0110	3.9883	2.9565	2.4270		4.4490	1.6500	4.5595
H8	2.5867	2.0311	3.9883	1.0110	2.4270	2.9565	4.4490		4.5595	1.6500
H9	2.0321	3.1781	1.0109	4.4396	2.4087	3.4987	1.6500	4.5595		5.0567
H10	3.1781	2.0321	4.4396	1.0109	3.4987	2.4087	4.5595	1.6500	5.0567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.358	C1	C2	H6	120.282
C1	N3	H7	112.714	C1	N3	H9	112.808
C2	C1	N3	125.358	C2	C1	H5	120.282
C2	N4	H8	112.714	C2	N4	H10	112.808
N3	C1	H5	113.984	N4	C2	H6	113.984
H7	N3	H9	109.380	H8	N4	H10	109.380

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)