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	hartrees
Energy at 0K	-189.233210
Energy at 298.15K
HF Energy	-189.233210
Nuclear repulsion energy	117.565395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3485	0.75
2	A	3530	3383	1.67
3	A	3160	3029	0.11
4	A	1781	1707	0.34
5	A	1649	1580	24.27
6	A	1338	1282	0.68
7	A	1293	1239	0.01
8	A	1045	1002	0.39
9	A	941	902	56.39
10	A	811	777	165.11
11	A	557	534	1.56
12	A	338	324	0.17
13	A	254	243	20.17
14	B	3635	3484	2.51
15	B	3528	3382	0.06
16	B	3163	3031	54.54
17	B	1657	1588	50.86
18	B	1397	1338	9.61
19	B	1202	1152	96.22
20	B	1127	1081	0.81
21	B	805	771	105.25
22	B	740	709	348.51
23	B	352	337	48.50
24	B	255	244	100.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.037
C2	-0.312	-0.593	0.037
N3	-0.312	1.850	-0.111
N4	0.312	-1.850	-0.111
H5	1.401	0.638	0.038
H6	-1.401	-0.638	0.038
H7	-1.322	1.784	-0.064
H8	1.322	-1.784	-0.064
H9	0.005	2.522	0.580
H10	-0.005	-2.522	0.580

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3404	1.4101	2.4474	1.0901	2.1094	2.0238	2.5848	2.0270	3.1780
C2	1.3404		2.4474	1.4101	2.1094	1.0901	2.5848	2.0238	3.1780	2.0270
N3	1.4101	2.4474		3.7514	2.1028	2.7201	1.0137	3.9840	1.0144	4.4364
N4	2.4474	1.4101	3.7514		2.7201	2.1028	3.9840	1.0137	4.4364	1.0144
H5	1.0901	2.1094	2.1028	2.7201		3.0788	2.9557	2.4255	2.4062	3.5008
H6	2.1094	1.0901	2.7201	2.1028	3.0788		2.4255	2.9557	3.5008	2.4062
H7	2.0238	2.5848	1.0137	3.9840	2.9557	2.4255		4.4404	1.6491	4.5484
H8	2.5848	2.0238	3.9840	1.0137	2.4255	2.9557	4.4404		4.5484	1.6491
H9	2.0270	3.1780	1.0144	4.4364	2.4062	3.5008	1.6491	4.5484		5.0438
H10	3.1780	2.0270	4.4364	1.0144	3.5008	2.4062	4.5484	1.6491	5.0438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.681	C1	C2	H6	120.077
C1	N3	H7	112.191	C1	N3	H9	112.421
C2	C1	N3	125.681	C2	C1	H5	120.077
C2	N4	H8	112.191	C2	N4	H10	112.421
N3	C1	H5	113.885	N4	C2	H6	113.885
H7	N3	H9	108.803	H8	N4	H10	108.803

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/6-31G**

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	0.011
2	C	0.011
3	N	-0.643
4	N	-0.643
5	H	0.104
6	H	0.104
7	H	0.263
8	H	0.263
9	H	0.266
10	H	0.266

	x	y	z	Total
	0.000	0.000	2.317	2.317
CHELPG
AIM
ESP

	x	y	z
x	5.176	0.103	0.000
y	0.103	8.506	0.000
z	0.000	0.000	2.718

<r²>	97.427
(<r²>)^1/2	9.871

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)