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	hartrees
Energy at 0K	-189.242561
Energy at 298.15K
HF Energy	-189.242561
Nuclear repulsion energy	116.975951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3551	1.49
2	A	3565	3430	0.54
3	A	3169	3049	0.22
4	A	1761	1694	1.27
5	A	1704	1640	12.95
6	A	1364	1313	1.40
7	A	1291	1243	0.79
8	A	1018	979	0.30
9	A	942	906	76.37
10	A	568	546	83.75
11	A	513	494	378.27
12	A	355	341	10.85
13	A	237	228	27.97
14	B	3690	3550	3.75
15	B	3563	3428	4.45
16	B	3173	3052	71.51
17	B	1708	1644	83.39
18	B	1410	1357	6.81
19	B	1206	1160	163.23
20	B	1115	1073	5.16
21	B	797	767	22.75
22	B	464	446	273.00
23	B	331	318	23.96
24	B	204	196	196.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.317	0.596	0.052
C2	-0.317	-0.596	0.052
N3	-0.317	1.851	-0.087
N4	0.317	-1.851	-0.087
H5	1.403	0.647	0.060
H6	-1.403	-0.647	0.060
H7	-1.320	1.861	-0.211
H8	1.320	-1.861	-0.211
H9	0.050	2.626	0.447
H10	-0.050	-2.626	0.447

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3505	1.4119	2.4509	1.0880	2.1224	2.0846	2.6670	2.0853	3.2675
C2	1.3505		2.4509	1.4119	2.1224	1.0880	2.6670	2.0846	3.2675	2.0853
N3	1.4119	2.4509		3.7551	2.1047	2.7277	1.0107	4.0581	1.0105	4.5166
N4	2.4509	1.4119	3.7551		2.7277	2.1047	4.0581	1.0107	4.5166	1.0105
H5	1.0880	2.1224	2.1047	2.7277		3.0907	2.9938	2.5238	2.4289	3.6022
H6	2.1224	1.0880	2.7277	2.1047	3.0907		2.5238	2.9938	3.6022	2.4289
H7	2.0846	2.6670	1.0107	4.0581	2.9938	2.5238		4.5626	1.7015	4.7096
H8	2.6670	2.0846	4.0581	1.0107	2.5238	2.9938	4.5626		4.7096	1.7015
H9	2.0853	3.2675	1.0105	4.5166	2.4289	3.6022	1.7015	4.7096		5.2536
H10	3.2675	2.0853	4.5166	1.0105	3.6022	2.4289	4.7096	1.7015	5.2536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.045	C1	C2	H6	120.628
C1	N3	H7	117.789	C1	N3	H9	117.862
C2	C1	N3	125.045	C2	C1	H5	120.628
C2	N4	H8	117.789	C2	N4	H10	117.862
N3	C1	H5	114.057	N4	C2	H6	114.057
H7	N3	H9	114.670	H8	N4	H10	114.670

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	0.020
2	C	0.020
3	N	-0.763
4	N	-0.763
5	H	0.133
6	H	0.133
7	H	0.306
8	H	0.306
9	H	0.304
10	H	0.304

	x	y	z	Total
	0.000	0.000	1.743	1.743
CHELPG
AIM
ESP

	x	y	z
x	4.938	0.140	0.000
y	0.140	8.660	0.000
z	0.000	0.000	2.159

<r²>	98.652
(<r²>)^1/2	9.932

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)