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	hartrees
Energy at 0K	-189.254826
Energy at 298.15K
HF Energy	-189.254826
Nuclear repulsion energy	117.265049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3525	3476	0.63
2	A	3428	3380	0.03
3	A	3079	3036	0.02
4	A	1702	1679	0.15
5	A	1615	1592	17.78
6	A	1309	1291	0.65
7	A	1257	1240	0.01
8	A	1015	1001	1.17
9	A	899	886	70.46
10	A	798	787	113.44
11	A	545	537	0.85
12	A	330	326	1.47
13	A	241	238	16.42
14	B	3525	3475	1.59
15	B	3426	3378	1.46
16	B	3084	3041	58.35
17	B	1621	1598	38.36
18	B	1368	1349	9.55
19	B	1146	1130	89.22
20	B	1111	1096	1.57
21	B	775	764	159.10
22	B	734	724	263.69
23	B	351	346	37.72
24	B	251	248	83.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.043
C2	-0.313	-0.594	0.043
N3	-0.313	1.854	-0.117
N4	0.313	-1.854	-0.117
H5	1.402	0.639	0.046
H6	-1.402	-0.639	0.046
H7	-1.324	1.788	-0.050
H8	1.324	-1.788	-0.050
H9	0.013	2.535	0.563
H10	-0.013	-2.535	0.563

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3422	1.4166	2.4534	1.0901	2.1117	2.0282	2.5891	2.0320	3.1882
C2	1.3422		2.4534	1.4166	2.1117	1.0901	2.5891	2.0282	3.1882	2.0320
N3	1.4166	2.4534		3.7614	2.1086	2.7254	1.0150	3.9940	1.0154	4.4520
N4	2.4534	1.4166	3.7614		2.7254	2.1086	3.9940	1.0150	4.4520	1.0154
H5	1.0901	2.1117	2.1086	2.7254		3.0812	2.9597	2.4299	2.4071	3.5128
H6	2.1117	1.0901	2.7254	2.1086	3.0812		2.4299	2.9597	3.5128	2.4071
H7	2.0282	2.5891	1.0150	3.9940	2.9597	2.4299		4.4495	1.6487	4.5590
H8	2.5891	2.0282	3.9940	1.0150	2.4299	2.9597	4.4495		4.5590	1.6487
H9	2.0320	3.1882	1.0154	4.4520	2.4071	3.5128	1.6487	4.5590		5.0702
H10	3.1882	2.0320	4.4520	1.0154	3.5128	2.4071	4.5590	1.6487	5.0702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.545	C1	C2	H6	120.150
C1	N3	H7	111.983	C1	N3	H9	112.289
C2	C1	N3	125.545	C2	C1	H5	120.150
C2	N4	H8	111.983	C2	N4	H10	112.289
N3	C1	H5	113.896	N4	C2	H6	113.896
H7	N3	H9	108.587	H8	N4	H10	108.587

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/cc-pVTZ

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	-0.091
2	C	-0.091
3	N	-0.239
4	N	-0.239
5	H	0.077
6	H	0.077
7	H	0.123
8	H	0.123
9	H	0.129
10	H	0.129

	x	y	z	Total
	0.000	0.000	1.956	1.956
CHELPG
AIM
ESP

	x	y	z
x	5.991	-0.004	0.000
y	-0.004	9.680	0.000
z	0.000	0.000	4.135

<r²>	98.192
(<r²>)^1/2	9.909

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)