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	hartrees
Energy at 0K	-189.062549
Energy at 298.15K
HF Energy	-189.062549
Nuclear repulsion energy	116.826710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3520	3471	0.23
2	A	3413	3366	0.41
3	A	3081	3038	0.14
4	A	1719	1695	0.42
5	A	1598	1576	21.87
6	A	1295	1277	0.69
7	A	1259	1242	0.00
8	A	1019	1005	0.74
9	A	897	884	54.22
10	A	801	790	138.89
11	A	543	536	1.16
12	A	339	335	0.01
13	A	248	245	20.02
14	B	3518	3470	1.60
15	B	3410	3363	3.42
16	B	3083	3041	54.94
17	B	1605	1583	39.72
18	B	1354	1336	11.09
19	B	1177	1160	77.02
20	B	1097	1082	0.79
21	B	758	747	217.53
22	B	728	718	234.70
23	B	355	351	56.76
24	B	256	252	81.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.599	0.047
C2	-0.313	-0.599	0.047
N3	-0.313	1.859	-0.121
N4	0.313	-1.859	-0.121
H5	1.411	0.646	0.051
H6	-1.411	-0.646	0.051
H7	-1.332	1.782	-0.064
H8	1.332	-1.782	-0.064
H9	-0.003	2.539	0.578
H10	0.003	-2.539	0.578

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3518	1.4171	2.4631	1.0981	2.1264	2.0299	2.5921	2.0366	3.1979
C2	1.3518		2.4631	1.4171	2.1264	1.0981	2.5921	2.0299	3.1979	2.0366
N3	1.4171	2.4631		3.7696	2.1149	2.7395	1.0231	3.9958	1.0239	4.4643
N4	2.4631	1.4171	3.7696		2.7395	2.1149	3.9958	1.0231	4.4643	1.0239
H5	1.0981	2.1264	2.1149	2.7395		3.1028	2.9710	2.4320	2.4210	3.5220
H6	2.1264	1.0981	2.7395	2.1149	3.1028		2.4320	2.9710	3.5220	2.4210
H7	2.0299	2.5921	1.0231	3.9958	2.9710	2.4320		4.4500	1.6588	4.5683
H8	2.5921	2.0299	3.9958	1.0231	2.4320	2.9710	4.4500		4.5683	1.6588
H9	2.0366	3.1979	1.0239	4.4643	2.4210	3.5220	1.6588	4.5683		5.0787
H10	3.1979	2.0366	4.4643	1.0239	3.5220	2.4210	4.5683	1.6588	5.0787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.622	C1	C2	H6	120.080
C1	N3	H7	111.561	C1	N3	H9	112.094
C2	C1	N3	125.622	C2	C1	H5	120.080
C2	N4	H8	111.561	C2	N4	H10	112.094
N3	C1	H5	113.855	N4	C2	H6	113.855
H7	N3	H9	108.263	H8	N4	H10	108.263

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/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	-0.593
4	N	-0.593
5	H	0.084
6	H	0.084
7	H	0.247
8	H	0.247
9	H	0.251
10	H	0.251

	x	y	z	Total
	0.000	0.000	2.243	2.243
CHELPG
AIM
ESP

	x	y	z
x	5.370	-0.009	0.000
y	-0.009	8.973	0.000
z	0.000	0.000	2.791

<r²>	98.388
(<r²>)^1/2	9.919

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)