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	hartrees
Energy at 0K	-189.168733
Energy at 298.15K
HF Energy	-189.168733
Nuclear repulsion energy	116.871566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3502	3433	0.02
2	A	3395	3328	0.15
3	A	3093	3032	0.15
4	A	1729	1695	0.00
5	A	1649	1617	25.09
6	A	1322	1296	0.74
7	A	1276	1251	0.01
8	A	1033	1013	2.27
9	A	908	890	61.84
10	A	839	823	130.46
11	A	547	537	0.78
12	A	336	329	0.03
13	A	247	242	20.07
14	B	3501	3432	2.03
15	B	3392	3326	7.07
16	B	3095	3034	68.35
17	B	1658	1626	37.34
18	B	1385	1358	9.88
19	B	1169	1146	68.50
20	B	1125	1103	0.78
21	B	784	769	453.22
22	B	741	727	27.77
23	B	357	350	53.49
24	B	258	253	86.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.597	0.046
C2	-0.314	-0.597	0.046
N3	-0.314	1.860	-0.121
N4	0.314	-1.860	-0.121
H5	1.407	0.647	0.048
H6	-1.407	-0.647	0.048
H7	-1.330	1.781	-0.063
H8	1.330	-1.781	-0.063
H9	-0.009	2.533	0.584
H10	0.009	-2.533	0.584

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3493	1.4198	2.4626	1.0947	2.1239	2.0284	2.5882	2.0347	3.1905
C2	1.3493		2.4626	1.4198	2.1239	1.0947	2.5882	2.0284	3.1905	2.0347
N3	1.4198	2.4626		3.7719	2.1121	2.7402	1.0207	3.9947	1.0217	4.4604
N4	2.4626	1.4198	3.7719		2.7402	2.1121	3.9947	1.0207	4.4604	1.0217
H5	1.0947	2.1239	2.1121	2.7402		3.0981	2.9647	2.4317	2.4184	3.5152
H6	2.1239	1.0947	2.7402	2.1121	3.0981		2.4317	2.9647	3.5152	2.4184
H7	2.0284	2.5882	1.0207	3.9947	2.9647	2.4317		4.4450	1.6522	4.5626
H8	2.5882	2.0284	3.9947	1.0207	2.4317	2.9647	4.4450		4.5626	1.6522
H9	2.0347	3.1905	1.0217	4.4604	2.4184	3.5152	1.6522	4.5626		5.0656
H10	3.1905	2.0347	4.4604	1.0217	3.5152	2.4184	4.5626	1.6522	5.0656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.552	C1	C2	H6	120.342
C1	N3	H7	111.380	C1	N3	H9	111.856
C2	C1	N3	125.552	C2	C1	H5	120.342
C2	N4	H8	111.380	C2	N4	H10	111.856
N3	C1	H5	113.649	N4	C2	H6	113.649
H7	N3	H9	107.988	H8	N4	H10	107.988

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/6-31G*

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	-0.018
2	C	-0.018
3	N	-0.712
4	N	-0.712
5	H	0.118
6	H	0.118
7	H	0.305
8	H	0.305
9	H	0.306
10	H	0.306

	x	y	z	Total
	0.000	0.000	2.348	2.348
CHELPG
AIM
ESP

	x	y	z
x	5.253	0.018	0.000
y	0.018	8.818	0.000
z	0.000	0.000	2.719

<r²>	98.370
(<r²>)^1/2	9.918

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)