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HexaBenzoCoronene (C42H18)
Electronic States :

Energy
(eV)

-1611.558716

Description
S0

Multiplicity
1

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
6-31+G*


Dipole Moments
(Debye)

mu_x
0.000000
mu_y
0.000000
mu_z
0.000000

#

Atom

Basis Sets

1

Carbon(C, 6, 12)

6-31+G*

2

Carbon(C, 6, 12)

6-31+G*

3

Carbon(C, 6, 12)

6-31+G*

4

Carbon(C, 6, 12)

6-31+G*

5

Carbon(C, 6, 12)

6-31+G*

6

Carbon(C, 6, 12)

6-31+G*

7

Carbon(C, 6, 12)

6-31+G*

8

Carbon(C, 6, 12)

6-31+G*

9

Carbon(C, 6, 12)

6-31+G*

10

Carbon(C, 6, 12)

6-31+G*

11

Carbon(C, 6, 12)

6-31+G*

12

Carbon(C, 6, 12)

6-31+G*

13

Carbon(C, 6, 12)

6-31+G*

14

Carbon(C, 6, 12)

6-31+G*

15

Carbon(C, 6, 12)

6-31+G*

16

Carbon(C, 6, 12)

6-31+G*

17

Carbon(C, 6, 12)

6-31+G*

18

Carbon(C, 6, 12)

6-31+G*

19

Carbon(C, 6, 12)

6-31+G*

20

Carbon(C, 6, 12)

6-31+G*

21

Carbon(C, 6, 12)

6-31+G*

22

Carbon(C, 6, 12)

6-31+G*

23

Carbon(C, 6, 12)

6-31+G*

24

Carbon(C, 6, 12)

6-31+G*

25

Carbon(C, 6, 12)

6-31+G*

26

Carbon(C, 6, 12)

6-31+G*

27

Carbon(C, 6, 12)

6-31+G*

28

Carbon(C, 6, 12)

6-31+G*

29

Carbon(C, 6, 12)

6-31+G*

30

Carbon(C, 6, 12)

6-31+G*

31

Carbon(C, 6, 12)

6-31+G*

32

Carbon(C, 6, 12)

6-31+G*

33

Carbon(C, 6, 12)

6-31+G*

34

Carbon(C, 6, 12)

6-31+G*

35

Carbon(C, 6, 12)

6-31+G*

36

Carbon(C, 6, 12)

6-31+G*

37

Carbon(C, 6, 12)

6-31+G*

38

Carbon(C, 6, 12)

6-31+G*

39

Carbon(C, 6, 12)

6-31+G*

40

Carbon(C, 6, 12)

6-31+G*

41

Carbon(C, 6, 12)

6-31+G*

42

Carbon(C, 6, 12)

6-31+G*

43

Hydrogen(H, 1, 1)

6-31+G*

44

Hydrogen(H, 1, 1)

6-31+G*

45

Hydrogen(H, 1, 1)

6-31+G*

46

Hydrogen(H, 1, 1)

6-31+G*

47

Hydrogen(H, 1, 1)

6-31+G*

48

Hydrogen(H, 1, 1)

6-31+G*

49

Hydrogen(H, 1, 1)

6-31+G*

50

Hydrogen(H, 1, 1)

6-31+G*

51

Hydrogen(H, 1, 1)

6-31+G*

52

Hydrogen(H, 1, 1)

6-31+G*

53

Hydrogen(H, 1, 1)

6-31+G*

54

Hydrogen(H, 1, 1)

6-31+G*

55

Hydrogen(H, 1, 1)

6-31+G*

56

Hydrogen(H, 1, 1)

6-31+G*

57

Hydrogen(H, 1, 1)

6-31+G*

58

Hydrogen(H, 1, 1)

6-31+G*

59

Hydrogen(H, 1, 1)

6-31+G*

60

Hydrogen(H, 1, 1)

6-31+G*