Charge: 1
Inchi:1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1
Electronic States
Energy
(eV)
-539.572431
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.071359 b
(cm-1)
0.015008 c
(cm-1)
0.012400
Dipole Moments
mu_x(Debye)
0.000000 mu_y
(Debye)
0.000000 mu_z
(Debye)
0.000000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Atom
Basis Sets
1
Carbon(C, 6, 12)
CC-PVDZ
2
Carbon(C, 6, 12)
CC-PVDZ
3
Carbon(C, 6, 12)
CC-PVDZ
4
Carbon(C, 6, 12)
CC-PVDZ
5
Carbon(C, 6, 12)
CC-PVDZ
6
Carbon(C, 6, 12)
CC-PVDZ
7
Carbon(C, 6, 12)
CC-PVDZ
8
Carbon(C, 6, 12)
CC-PVDZ
9
Carbon(C, 6, 12)
CC-PVDZ
10
Carbon(C, 6, 12)
CC-PVDZ
11
Carbon(C, 6, 12)
CC-PVDZ
12
Carbon(C, 6, 12)
CC-PVDZ
13
Carbon(C, 6, 12)
CC-PVDZ
14
Carbon(C, 6, 12)
CC-PVDZ
15
Hydrogen(H, 1, 1)
CC-PVDZ
16
Hydrogen(H, 1, 1)
CC-PVDZ
17
Hydrogen(H, 1, 1)
CC-PVDZ
18
Hydrogen(H, 1, 1)
CC-PVDZ
19
Hydrogen(H, 1, 1)
CC-PVDZ
20
Hydrogen(H, 1, 1)
CC-PVDZ
21
Hydrogen(H, 1, 1)
CC-PVDZ
22
Hydrogen(H, 1, 1)
CC-PVDZ
23
Hydrogen(H, 1, 1)
CC-PVDZ
24
Hydrogen(H, 1, 1)
CC-PVDZ