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	hartrees
Energy at 0K	-189.305451
Energy at 298.15K
HF Energy	-189.305451
Nuclear repulsion energy	117.868630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3622	2.19
2	A	3529	3529	0.14
3	A	3141	3141	0.06
4	A	1755	1755	0.51
5	A	1638	1638	17.64
6	A	1332	1332	0.46
7	A	1280	1280	0.01
8	A	1030	1030	0.16
9	A	933	933	67.79
10	A	767	767	136.70
11	A	552	552	2.28
12	A	330	330	4.18
13	A	241	241	14.94
14	B	3622	3622	9.58
15	B	3527	3527	3.90
16	B	3146	3146	43.86
17	B	1644	1644	52.86
18	B	1389	1389	9.85
19	B	1180	1180	132.95
20	B	1119	1119	1.41
21	B	818	818	48.70
22	B	711	711	302.50
23	B	344	344	33.85
24	B	246	246	94.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.590	0.036
C2	-0.311	-0.590	0.036
N3	-0.311	1.844	-0.107
N4	0.311	-1.844	-0.107
H5	1.397	0.633	0.037
H6	-1.397	-0.633	0.037
H7	-1.319	1.796	-0.048
H8	1.319	-1.796	-0.048
H9	0.032	2.534	0.546
H10	-0.032	-2.534	0.546

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3336	1.4075	2.4377	1.0866	2.1006	2.0293	2.5906	2.0300	3.1841
C2	1.3336		2.4377	1.4075	2.1006	1.0866	2.5906	2.0293	3.1841	2.0300
N3	1.4075	2.4377		3.7400	2.0991	2.7079	1.0103	3.9883	1.0104	4.4355
N4	2.4377	1.4075	3.7400		2.7079	2.0991	3.9883	1.0103	4.4355	1.0104
H5	1.0866	2.1006	2.0991	2.7079		3.0672	2.9555	2.4309	2.3957	3.5116
H6	2.1006	1.0866	2.7079	2.0991	3.0672		2.4309	2.9555	3.5116	2.3957
H7	2.0293	2.5906	1.0103	3.9883	2.9555	2.4309		4.4556	1.6501	4.5560
H8	2.5906	2.0293	3.9883	1.0103	2.4309	2.9555	4.4556		4.5560	1.6501
H9	2.0300	3.1841	1.0104	4.4355	2.3957	3.5116	1.6501	4.5560		5.0693
H10	3.1841	2.0300	4.4355	1.0104	3.5116	2.3957	4.5560	1.6501	5.0693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.554	C1	C2	H6	120.098
C1	N3	H7	113.113	C1	N3	H9	113.164
C2	C1	N3	125.554	C2	C1	H5	120.098
C2	N4	H8	113.113	C2	N4	H10	113.164
N3	C1	H5	114.012	N4	C2	H6	114.012
H7	N3	H9	109.494	H8	N4	H10	109.494

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/daug-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	-0.225
2	C	-0.225
3	N	-0.517
4	N	-0.517
5	H	0.555
6	H	0.555
7	H	0.044
8	H	0.044
9	H	0.142
10	H	0.142

	x	y	z	Total
	0.000	0.000	1.969	1.969
CHELPG
AIM
ESP

	x	y	z
x	6.320	-0.042	0.000
y	-0.042	10.217	0.000
z	0.000	0.000	5.269

<r²>	97.652
(<r²>)^1/2	9.882

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)