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	hartrees
Energy at 0K	-189.185004
Energy at 298.15K
HF Energy	-189.185004
Nuclear repulsion energy	116.969541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3536	3536	0.08
2	A	3426	3426	0.20
3	A	3094	3094	0.13
4	A	1724	1724	0.18
5	A	1622	1622	22.01
6	A	1313	1313	0.71
7	A	1266	1266	0.01
8	A	1025	1025	1.21
9	A	906	906	55.82
10	A	816	816	133.84
11	A	548	548	0.79
12	A	335	335	0.00
13	A	246	246	19.42
14	B	3534	3534	1.55
15	B	3424	3424	5.37
16	B	3096	3096	66.26
17	B	1630	1630	37.28
18	B	1374	1374	10.27
19	B	1166	1166	75.68
20	B	1114	1114	0.86
21	B	766	766	334.91
22	B	737	737	127.08
23	B	355	355	49.16
24	B	256	256	86.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.597	0.045
C2	-0.314	-0.597	0.045
N3	-0.314	1.858	-0.120
N4	0.314	-1.858	-0.120
H5	1.407	0.644	0.048
H6	-1.407	-0.644	0.048
H7	-1.328	1.781	-0.060
H8	1.328	-1.781	-0.060
H9	-0.005	2.532	0.581
H10	0.005	-2.532	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3491	1.4187	2.4609	1.0937	2.1217	2.0269	2.5871	2.0328	3.1892
C2	1.3491		2.4609	1.4187	2.1217	1.0937	2.5871	2.0269	3.1892	2.0328
N3	1.4187	2.4609		3.7695	2.1126	2.7359	1.0186	3.9929	1.0195	4.4570
N4	2.4609	1.4187	3.7695		2.7359	2.1126	3.9929	1.0186	4.4570	1.0195
H5	1.0937	2.1217	2.1126	2.7359		3.0944	2.9634	2.4287	2.4167	3.5120
H6	2.1217	1.0937	2.7359	2.1126	3.0944		2.4287	2.9634	3.5120	2.4167
H7	2.0269	2.5871	1.0186	3.9929	2.9634	2.4287		4.4428	1.6505	4.5591
H8	2.5871	2.0269	3.9929	1.0186	2.4287	2.9634	4.4428		4.5591	1.6505
H9	2.0328	3.1892	1.0195	4.4570	2.4167	3.5120	1.6505	4.5591		5.0631
H10	3.1892	2.0328	4.4570	1.0195	3.5120	2.4167	4.5591	1.6505	5.0631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.513	C1	C2	H6	120.219
C1	N3	H7	111.480	C1	N3	H9	111.924
C2	C1	N3	125.513	C2	C1	H5	120.219
C2	N4	H8	111.480	C2	N4	H10	111.924
N3	C1	H5	113.838	N4	C2	H6	113.838
H7	N3	H9	108.159	H8	N4	H10	108.159

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	0.024
2	C	0.024
3	N	-0.597
4	N	-0.597
5	H	0.079
6	H	0.079
7	H	0.246
8	H	0.246
9	H	0.249
10	H	0.249

	x	y	z	Total
	0.000	0.000	2.265	2.265
CHELPG
AIM
ESP

	x	y	z
x	5.327	0.017	0.000
y	0.017	8.868	0.000
z	0.000	0.000	2.781

<r²>	98.215
(<r²>)^1/2	9.910

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)