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Corannulene (C20H10)
Electronic States :

Energy
(eV)

-767.148248

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
4-31G


Dipole Moments
(Debye)

mu_x
0.000000
mu_y
0.000000
mu_z
-0.790304

#

Atom

Basis Sets

1

Carbon(C, 6, 12)

4-31G

2

Carbon(C, 6, 12)

4-31G

3

Carbon(C, 6, 12)

4-31G

4

Carbon(C, 6, 12)

4-31G

5

Carbon(C, 6, 12)

4-31G

6

Carbon(C, 6, 12)

4-31G

7

Carbon(C, 6, 12)

4-31G

8

Carbon(C, 6, 12)

4-31G

9

Carbon(C, 6, 12)

4-31G

10

Carbon(C, 6, 12)

4-31G

11

Carbon(C, 6, 12)

4-31G

12

Carbon(C, 6, 12)

4-31G

13

Carbon(C, 6, 12)

4-31G

14

Carbon(C, 6, 12)

4-31G

15

Carbon(C, 6, 12)

4-31G

16

Carbon(C, 6, 12)

4-31G

17

Carbon(C, 6, 12)

4-31G

18

Carbon(C, 6, 12)

4-31G

19

Carbon(C, 6, 12)

4-31G

20

Carbon(C, 6, 12)

4-31G

21

Hydrogen(H, 1, 1)

4-31G

22

Hydrogen(H, 1, 1)

4-31G

23

Hydrogen(H, 1, 1)

4-31G

24

Hydrogen(H, 1, 1)

4-31G

25

Hydrogen(H, 1, 1)

4-31G

26

Hydrogen(H, 1, 1)

4-31G

27

Hydrogen(H, 1, 1)

4-31G

28

Hydrogen(H, 1, 1)

4-31G

29

Hydrogen(H, 1, 1)

4-31G

30

Hydrogen(H, 1, 1)

4-31G