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	hartrees
Energy at 0K	-186.828867
Energy at 298.15K
HF Energy	-186.828867
Nuclear repulsion energy	115.264376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3779	3779	0.22
2	A	3584	3584	6.65
3	A	3496	3496	0.04
4	A	1934	1934	0.04
5	A	1828	1828	15.51
6	A	1432	1432	1.51
7	A	1390	1390	0.47
8	A	1113	1113	1.95
9	A	1038	1038	37.27
10	A	894	894	69.20
11	A	559	559	0.15
12	A	323	323	0.34
13	A	263	263	8.28
14	B	3778	3778	5.46
15	B	3581	3581	0.65
16	B	3485	3485	30.35
17	B	1833	1833	7.99
18	B	1503	1503	10.70
19	B	1283	1283	18.63
20	B	1213	1213	0.31
21	B	836	836	171.11
22	B	808	808	288.96
23	B	356	356	55.74
24	B	281	281	51.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.588	0.019
C2	-0.324	-0.588	0.019
N3	-0.324	1.887	-0.123
N4	0.324	-1.887	-0.123
H5	1.420	0.635	0.010
H6	-1.420	-0.635	0.010
H7	-1.334	1.782	0.149
H8	1.334	-1.782	0.149
H9	0.091	2.544	0.588
H10	-0.091	-2.544	0.588

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3426	1.4584	2.4792	1.0973	2.1297	2.0475	2.5801	2.0496	3.2097
C2	1.3426		2.4792	1.4584	2.1297	1.0973	2.5801	2.0475	3.2097	2.0496
N3	1.4584	2.4792		3.8292	2.1510	2.7529	1.0520	4.0358	1.0530	4.4933
N4	2.4792	1.4584	3.8292		2.7529	2.1510	4.0358	1.0520	4.4933	1.0530
H5	1.0973	2.1297	2.1510	2.7529		3.1107	2.9871	2.4224	2.3965	3.5661
H6	2.1297	1.0973	2.7529	2.1510	3.1107		2.4224	2.9871	3.5661	2.3965
H7	2.0475	2.5801	1.0520	4.0358	2.9871	2.4224		4.4529	1.6745	4.5223
H8	2.5801	2.0475	4.0358	1.0520	2.4224	2.9871	4.4529		4.5223	1.6745
H9	2.0496	3.2097	1.0530	4.4933	2.3965	3.5661	1.6745	4.5223		5.0904
H10	3.2097	2.0496	4.4933	1.0530	3.5661	2.3965	4.5223	1.6745	5.0904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.487	C1	C2	H6	121.259
C1	N3	H7	108.204	C1	N3	H9	108.315
C2	C1	N3	124.487	C2	C1	H5	121.259
C2	N4	H8	108.204	C2	N4	H10	108.315
N3	C1	H5	113.887	N4	C2	H6	113.887
H7	N3	H9	105.395	H8	N4	H10	105.395

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/STO-3G

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	-0.043
2	C	-0.043
3	N	-0.367
4	N	-0.367
5	H	0.071
6	H	0.071
7	H	0.169
8	H	0.169
9	H	0.170
10	H	0.170

	x	y	z	Total
	0.000	0.000	2.879	2.879
CHELPG
AIM
ESP

	x	y	z
x	3.184	0.113	0.000
y	0.113	5.952	0.000
z	0.000	0.000	0.909

<r²>	99.394
(<r²>)^1/2	9.970

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)