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	hartrees
Energy at 0K	-189.303716
Energy at 298.15K
HF Energy	-189.303716
Nuclear repulsion energy	117.326784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3600	3459	0.29
2	A	3498	3361	0.71
3	A	3150	3026	0.10
4	A	1771	1701	0.29
5	A	1650	1586	22.68
6	A	1341	1289	0.73
7	A	1288	1237	0.00
8	A	1042	1001	0.57
9	A	942	905	50.95
10	A	819	787	152.23
11	A	556	534	1.11
12	A	335	322	0.03
13	A	255	245	18.88
14	B	3599	3458	1.34
15	B	3497	3360	0.74
16	B	3153	3029	55.06
17	B	1658	1593	44.23
18	B	1399	1345	9.65
19	B	1184	1138	87.61
20	B	1131	1087	1.09
21	B	806	774	126.24
22	B	749	720	325.42
23	B	353	339	46.62
24	B	258	248	96.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.036
C2	-0.312	-0.593	0.036
N3	-0.312	1.855	-0.111
N4	0.312	-1.855	-0.111
H5	1.401	0.639	0.039
H6	-1.401	-0.639	0.039
H7	-1.324	1.787	-0.061
H8	1.324	-1.787	-0.061
H9	0.002	2.524	0.585
H10	-0.002	-2.524	0.585

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3403	1.4157	2.4519	1.0897	2.1104	2.0282	2.5875	2.0316	3.1804
C2	1.3403		2.4519	1.4157	2.1104	1.0897	2.5875	2.0282	3.1804	2.0316
N3	1.4157	2.4519		3.7615	2.1065	2.7249	1.0154	3.9925	1.0162	4.4445
N4	2.4519	1.4157	3.7615		2.7249	2.1065	3.9925	1.0154	4.4445	1.0162
H5	1.0897	2.1104	2.1065	2.7249		3.0799	2.9591	2.4288	2.4104	3.5029
H6	2.1104	1.0897	2.7249	2.1065	3.0799		2.4288	2.9591	3.5029	2.4104
H7	2.0282	2.5875	1.0154	3.9925	2.9591	2.4288		4.4479	1.6495	4.5550
H8	2.5875	2.0282	3.9925	1.0154	2.4288	2.9591	4.4479		4.5550	1.6495
H9	2.0316	3.1804	1.0162	4.4445	2.4104	3.5029	1.6495	4.5550		5.0479
H10	3.1804	2.0316	4.4445	1.0162	3.5029	2.4104	4.5550	1.6495	5.0479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.634	C1	C2	H6	120.209
C1	N3	H7	112.030	C1	N3	H9	112.270
C2	C1	N3	125.634	C2	C1	H5	120.209
C2	N4	H8	112.030	C2	N4	H10	112.270
N3	C1	H5	113.812	N4	C2	H6	113.812
H7	N3	H9	108.575	H8	N4	H10	108.575

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/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	0.043
2	C	0.043
3	N	-0.606
4	N	-0.606
5	H	0.073
6	H	0.073
7	H	0.243
8	H	0.243
9	H	0.247
10	H	0.247

	x	y	z	Total
	0.000	0.000	2.300	2.300
CHELPG
AIM
ESP

	x	y	z
x	5.208	0.098	0.000
y	0.098	8.528	0.000
z	0.000	0.000	2.719

<r²>	97.896
(<r²>)^1/2	9.894

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)