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)
-539.31632
Description
D0
Multiplicity
2
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)
0.07158 b
(cm-1)
0.01500 c
(cm-1)
0.01240
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
-0.02306
0.00000
0.00000
2
0.02306
0.00000
0.00000
3
0.00040
-0.04388
0.00000
4
-0.00040
-0.04388
0.00000
5
-0.00040
0.04388
0.00000
6
0.00040
0.04388
0.00000
7
-0.01645
-0.07875
0.00000
8
0.01645
-0.07875
0.00000
9
0.01645
0.07875
0.00000
10
-0.01645
0.07875
0.00000
11
0.00208
-0.10333
0.00000
12
-0.00208
-0.10333
0.00000
13
-0.00208
0.10333
0.00000
14
0.00208
0.10333
0.00000
15
-0.02087
0.00000
0.00000
16
0.02087
0.00000
0.00000
17
-0.01526
-0.08904
0.00000
18
0.01526
-0.08904
0.00000
19
0.01526
0.08904
0.00000
20
-0.01526
0.08904
0.00000
21
0.01950
-0.09473
0.00000
22
-0.01950
-0.09473
0.00000
23
-0.01950
0.09473
0.00000
24
0.01950
0.09473
0.00000