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	hartrees
Energy at 0K	-189.205686
Energy at 298.15K
HF Energy	-189.205686
Nuclear repulsion energy	116.878990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3811	4.39
2	A	3672	3672	0.96
3	A	3210	3210	0.03
4	A	1790	1790	2.89
5	A	1691	1691	7.40
6	A	1355	1355	0.32
7	A	1288	1288	1.45
8	A	1011	1011	0.64
9	A	948	948	111.43
10	A	569	569	16.14
11	A	417	417	492.82
12	A	337	337	60.62
13	A	211	211	32.83
14	B	3811	3811	16.20
15	B	3670	3670	27.65
16	B	3214	3214	73.92
17	B	1695	1695	140.86
18	B	1396	1396	7.24
19	B	1227	1227	230.31
20	B	1099	1099	6.06
21	B	828	828	21.64
22	B	369	369	206.57
23	B	323	323	4.35
24	B	147	147	202.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.596	0.048
C2	-0.318	-0.596	0.048
N3	-0.318	1.852	-0.073
N4	0.318	-1.852	-0.073
H5	1.406	0.639	0.058
H6	-1.406	-0.639	0.058
H7	-1.310	1.881	-0.248
H8	1.310	-1.881	-0.248
H9	0.074	2.642	0.413
H10	-0.074	-2.642	0.413

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3520	1.4135	2.4517	1.0881	2.1211	2.0953	2.6847	2.0925	3.2826
C2	1.3520		2.4517	1.4135	2.1211	1.0881	2.6847	2.0953	3.2826	2.0925
N3	1.4135	2.4517		3.7591	2.1122	2.7216	1.0076	4.0767	1.0070	4.5275
N4	2.4517	1.4135	3.7591		2.7216	2.1122	4.0767	1.0076	4.5275	1.0070
H5	1.0881	2.1211	2.1122	2.7216		3.0883	3.0020	2.5402	2.4313	3.6171
H6	2.1211	1.0881	2.7216	2.1122	3.0883		2.5402	3.0020	3.6171	2.4313
H7	2.0953	2.6847	1.0076	4.0767	3.0020	2.5402		4.5844	1.7126	4.7352
H8	2.6847	2.0953	4.0767	1.0076	2.5402	3.0020	4.5844		4.7352	1.7126
H9	2.0925	3.2826	1.0070	4.5275	2.4313	3.6171	1.7126	4.7352		5.2867
H10	3.2826	2.0925	4.5275	1.0070	3.6171	2.4313	4.7352	1.7126	5.2867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.866	C1	C2	H6	120.358
C1	N3	H7	118.907	C1	N3	H9	118.691
C2	C1	N3	124.866	C2	C1	H5	120.358
C2	N4	H8	118.907	C2	N4	H10	118.691
N3	C1	H5	114.578	N4	C2	H6	114.578
H7	N3	H9	116.450	H8	N4	H10	116.450

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/SDD

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	-0.128
2	C	-0.128
3	N	-0.677
4	N	-0.677
5	H	0.201
6	H	0.201
7	H	0.300
8	H	0.300
9	H	0.304
10	H	0.304

	x	y	z	Total
	0.000	0.000	1.428	1.428
CHELPG
AIM
ESP

	x	y	z
x	4.760	0.380	0.000
y	0.380	8.469	0.000
z	0.000	0.000	2.666

<r²>	98.918
(<r²>)^1/2	9.946

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)