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	hartrees
Energy at 0K	-189.291258
Energy at 298.15K
HF Energy	-189.291258
Nuclear repulsion energy	117.137745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3412	0.04
2	A	3456	3315	0.60
3	A	3160	3031	0.14
4	A	1766	1695	0.00
5	A	1682	1614	27.48
6	A	1350	1295	0.68
7	A	1298	1245	0.02
8	A	1047	1004	1.84
9	A	945	907	63.76
10	A	856	821	138.64
11	A	549	527	1.04
12	A	340	326	0.02
13	A	256	245	19.82
14	B	3556	3411	1.24
15	B	3454	3313	4.08
16	B	3161	3033	61.31
17	B	1692	1623	39.30
18	B	1410	1353	9.95
19	B	1188	1139	71.89
20	B	1137	1091	1.42
21	B	804	772	402.88
22	B	768	737	90.58
23	B	356	341	63.22
24	B	256	245	82.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.043
C2	-0.313	-0.594	0.043
N3	-0.313	1.856	-0.118
N4	0.313	-1.856	-0.118
H5	1.402	0.646	0.042
H6	-1.402	-0.646	0.042
H7	-1.327	1.781	-0.061
H8	1.327	-1.781	-0.061
H9	-0.005	2.526	0.586
H10	0.005	-2.526	0.586

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3437	1.4183	2.4559	1.0896	2.1164	2.0274	2.5845	2.0318	3.1822
C2	1.3437		2.4559	1.4183	2.1164	1.0896	2.5845	2.0274	3.1822	2.0318
N3	1.4183	2.4559		3.7653	2.1056	2.7332	1.0185	3.9905	1.0194	4.4500
N4	2.4559	1.4183	3.7653		2.7332	2.1056	3.9905	1.0185	4.4500	1.0194
H5	1.0896	2.1164	2.1056	2.7332		3.0866	2.9576	2.4296	2.4107	3.5078
H6	2.1164	1.0896	2.7332	2.1056	3.0866		2.4296	2.9576	3.5078	2.4107
H7	2.0274	2.5845	1.0185	3.9905	2.9576	2.4296		4.4420	1.6499	4.5542
H8	2.5845	2.0274	3.9905	1.0185	2.4296	2.9576	4.4420		4.5542	1.6499
H9	2.0318	3.1822	1.0194	4.4500	2.4107	3.5078	1.6499	4.5542		5.0518
H10	3.1822	2.0318	4.4500	1.0194	3.5078	2.4107	4.5542	1.6499	5.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.525	C1	C2	H6	120.501
C1	N3	H7	111.555	C1	N3	H9	111.875
C2	C1	N3	125.525	C2	C1	H5	120.501
C2	N4	H8	111.555	C2	N4	H10	111.875
N3	C1	H5	113.543	N4	C2	H6	113.543
H7	N3	H9	108.113	H8	N4	H10	108.113

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	-0.028
2	C	-0.028
3	N	-0.743
4	N	-0.743
5	H	0.140
6	H	0.140
7	H	0.316
8	H	0.316
9	H	0.316
10	H	0.316

	x	y	z	Total
	0.000	0.000	2.402	2.402
CHELPG
AIM
ESP

	x	y	z
x	5.177	0.070	0.000
y	0.070	8.615	0.000
z	0.000	0.000	2.695

<r²>	98.066
(<r²>)^1/2	9.903

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)