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	hartrees
Energy at 0K	-189.383804
Energy at 298.15K
HF Energy	-189.383804
Nuclear repulsion energy	117.657845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3601	3466	1.75
2	A	3510	3379	0.68
3	A	3137	3019	0.04
4	A	1746	1681	0.57
5	A	1644	1583	18.37
6	A	1340	1290	0.56
7	A	1278	1231	0.01
8	A	1030	991	0.23
9	A	933	898	69.03
10	A	781	752	141.75
11	A	554	533	1.54
12	A	329	316	3.27
13	A	243	234	15.87
14	B	3600	3466	5.30
15	B	3508	3377	1.92
16	B	3142	3025	45.98
17	B	1650	1588	47.38
18	B	1396	1343	9.16
19	B	1165	1121	115.98
20	B	1128	1086	1.95
21	B	818	788	58.66
22	B	723	696	340.30
23	B	345	333	32.80
24	B	250	240	98.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.590	0.037
C2	-0.312	-0.590	0.037
N3	-0.312	1.849	-0.108
N4	0.312	-1.849	-0.108
H5	1.396	0.634	0.040
H6	-1.396	-0.634	0.040
H7	-1.320	1.800	-0.056
H8	1.320	-1.800	-0.056
H9	0.025	2.537	0.551
H10	-0.025	-2.537	0.551

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3343	1.4122	2.4429	1.0856	2.1010	2.0335	2.5954	2.0341	3.1867
C2	1.3343		2.4429	1.4122	2.1010	1.0856	2.5954	2.0335	3.1867	2.0341
N3	1.4122	2.4429		3.7497	2.1014	2.7130	1.0108	3.9971	1.0109	4.4442
N4	2.4429	1.4122	3.7497		2.7130	2.1014	3.9971	1.0108	4.4442	1.0109
H5	1.0856	2.1010	2.1014	2.7130		3.0667	2.9577	2.4365	2.4010	3.5120
H6	2.1010	1.0856	2.7130	2.1014	3.0667		2.4365	2.9577	3.5120	2.4010
H7	2.0335	2.5954	1.0108	3.9971	2.9577	2.4365		4.4640	1.6499	4.5665
H8	2.5954	2.0335	3.9971	1.0108	2.4365	2.9577	4.4640		4.5665	1.6499
H9	2.0341	3.1867	1.0109	4.4442	2.4010	3.5120	1.6499	4.5665		5.0741
H10	3.1867	2.0341	4.4442	1.0109	3.5120	2.4010	4.5665	1.6499	5.0741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.589	C1	C2	H6	120.156
C1	N3	H7	113.072	C1	N3	H9	113.125
C2	C1	N3	125.589	C2	C1	H5	120.156
C2	N4	H8	113.072	C2	N4	H10	113.125
N3	C1	H5	113.918	N4	C2	H6	113.918
H7	N3	H9	109.385	H8	N4	H10	109.385

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.031
2	C	-0.031
3	N	-0.298
4	N	-0.298
5	H	0.063
6	H	0.063
7	H	0.129
8	H	0.129
9	H	0.137
10	H	0.137

	x	y	z	Total
	0.000	0.000	1.984	1.984
CHELPG
AIM
ESP

	x	y	z
x	5.922	0.083	0.000
y	0.083	9.529	0.000
z	0.000	0.000	4.464

<r²>	98.016
(<r²>)^1/2	9.900

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)