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	hartrees
Energy at 0K	-189.305225
Energy at 298.15K
HF Energy	-189.305225
Nuclear repulsion energy	117.868396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3497	2.20
2	A	3529	3406	0.15
3	A	3142	3032	0.05
4	A	1755	1694	0.51
5	A	1638	1581	17.50
6	A	1332	1286	0.45
7	A	1280	1236	0.01
8	A	1030	994	0.17
9	A	932	900	68.09
10	A	767	740	136.41
11	A	552	533	2.29
12	A	329	318	4.23
13	A	240	232	14.93
14	B	3622	3496	9.65
15	B	3527	3404	3.87
16	B	3146	3037	43.85
17	B	1644	1587	52.81
18	B	1389	1340	9.87
19	B	1180	1138	133.13
20	B	1119	1080	1.42
21	B	817	788	50.13
22	B	711	686	301.52
23	B	343	331	33.49
24	B	246	237	94.47

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	-0.047
H8	1.319	-1.796	-0.047
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	1.0865	2.1006	2.0293	2.5906	2.0299	3.1841
C2	1.3336		2.4377	1.4075	2.1006	1.0865	2.5906	2.0293	3.1841	2.0299
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	1.0865	2.1006	2.0991	2.7079		3.0672	2.9555	2.4309	2.3955	3.5118
H6	2.1006	1.0865	2.7079	2.0991	3.0672		2.4309	2.9555	3.5118	2.3955
H7	2.0293	2.5906	1.0103	3.9883	2.9555	2.4309		4.4557	1.6501	4.5558
H8	2.5906	2.0293	3.9883	1.0103	2.4309	2.9555	4.4557		4.5558	1.6501
H9	2.0299	3.1841	1.0104	4.4355	2.3955	3.5118	1.6501	4.5558		5.0694
H10	3.1841	2.0299	4.4355	1.0104	3.5118	2.3955	4.5558	1.6501	5.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.553	C1	C2	H6	120.101
C1	N3	H7	113.110	C1	N3	H9	113.157
C2	C1	N3	125.553	C2	C1	H5	120.101
C2	N4	H8	113.110	C2	N4	H10	113.157
N3	C1	H5	114.009	N4	C2	H6	114.009
H7	N3	H9	109.491	H8	N4	H10	109.491

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/aug-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	-0.125
2	C	-0.125
3	N	-0.394
4	N	-0.394
5	H	0.406
6	H	0.406
7	H	0.070
8	H	0.070
9	H	0.043
10	H	0.043

	x	y	z	Total
	0.000	0.000	1.969	1.969
CHELPG
AIM
ESP

	x	y	z
x	6.298	-0.025	0.000
y	-0.025	10.172	0.000
z	0.000	0.000	5.244

<r²>	97.651
(<r²>)^1/2	9.882

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)