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Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
Anthracene- (C14H10-)
Molecular Formula
C14H10-
Mass
178.078250 u.
InChIKey
KFWDVKZCJOXOHD-UHFFFAOYSA-N
InChI
1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q-1
Related Molecules
Electronic States :

Task: FREQUENCIES C14H10-/-1 DFT+D/B3LYP/D95V**

Energy
(eV)
-539.658814

Description
D0

Multiplicity
2

Symmetry
-

Is Minimum
yes

Theory Level
DFT
B3LYP

Basis Sets
D95V**

Rotational Constants
(cm-1)

a
0.071652 b
0.014731 c
0.012218

Vibration Analisys

Harmonic: link
Anharmonic: None

#

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

Carbon(C, 6, 12)

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**

24

Hydrogen(H, 1, 1)

D95V**