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)
-539.72189
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)
0.07208 b
(cm-1)
0.01516 c
(cm-1)
0.01252
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01088
0.00000
2
-0.08857
0.02886
0.00000
3
0.08856
0.02886
0.00000
4
-0.08857
-0.02886
0.00000
5
0.08856
-0.02886
0.00000
6
0.00000
0.01088
0.00000
7
-0.05048
0.06948
0.00000
8
0.01603
0.03732
0.00000
9
0.01603
-0.03732
0.00000
10
-0.05048
-0.06948
0.00000
11
0.05048
0.06948
0.00000
12
-0.01603
0.03732
0.00000
13
-0.01603
-0.03732
0.00000
14
0.05048
-0.06948
0.00000
15
0.00000
-0.12717
0.00000
16
0.05087
0.12715
0.00000
17
-0.07084
0.06867
0.00000
18
-0.07084
-0.06867
0.00000
19
0.05087
-0.12715
0.00000
20
-0.05087
0.12715
0.00000
21
0.07084
0.06867
0.00000
22
0.07084
-0.06866
0.00000
23
-0.05087
-0.12715
0.00000
24
0.00000
0.12716
0.00000