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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
Fluorene++ (C13H10++)
Molecular Formula
C13H10++
Mass
166.078250 u.
InChIKey
CNEGKICCMULLKX-UHFFFAOYSA-N
InChI
1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/q+2
Related Molecules
Electronic States :

Task: OPTIMIZE C13H10++/2 DFT+D/B3LYP/D95V**

Energy
(eV)
-500.802314

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.067599 b
0.020098 c
0.015537

#

Atom

Basis Sets

1

Carbon(C, 6, 12)

D95V**

2

Carbon(C, 6, 12)

D95V**

3

Carbon(C, 6, 12)

D95V**

4

Carbon(C, 6, 12)

D95V**

5

Carbon(C, 6, 12)

D95V**

6

Carbon(C, 6, 12)

D95V**

7

Carbon(C, 6, 12)

D95V**

8

Carbon(C, 6, 12)

D95V**

9

Carbon(C, 6, 12)

D95V**

10

Carbon(C, 6, 12)

D95V**

11

Carbon(C, 6, 12)

D95V**

12

Carbon(C, 6, 12)

D95V**

13

Carbon(C, 6, 12)

D95V**

14

Hydrogen(H, 1, 1)

D95V**

15

Hydrogen(H, 1, 1)

D95V**

16

Hydrogen(H, 1, 1)

D95V**

17

Hydrogen(H, 1, 1)

D95V**

18

Hydrogen(H, 1, 1)

D95V**

19

Hydrogen(H, 1, 1)

D95V**

20

Hydrogen(H, 1, 1)

D95V**

21

Hydrogen(H, 1, 1)

D95V**

22

Hydrogen(H, 1, 1)

D95V**

23

Hydrogen(H, 1, 1)

D95V**