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)
-539.57243
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)
0.07136 b
(cm-1)
0.01501 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)
0.37100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01007
0.00000
0.00000
2
0.01007
0.00000
0.00000
3
-0.00040
-0.05681
0.00000
4
-0.00040
0.05681
0.00000
5
-0.00040
-0.05681
0.00000
6
-0.00040
0.05681
0.00000
7
0.02074
0.09541
0.00000
8
0.02074
-0.09541
0.00000
9
0.02074
0.09541
0.00000
10
0.02074
-0.09541
0.00000
11
-0.03671
-0.06945
0.00000
12
-0.03670
0.06945
0.00000
13
-0.03670
-0.06944
0.00000
14
-0.03670
0.06944
0.00000
15
0.01451
0.00000
0.00000
16
0.01451
0.00000
0.00000
17
0.02695
-0.10527
0.00000
18
0.02695
0.10527
0.00000
19
0.02695
-0.10527
0.00000
20
0.02695
0.10527
0.00000
21
0.10071
-0.00043
0.00000
22
0.10071
0.00043
0.00000
23
0.10070
-0.00043
0.00000
24
0.10070
0.00044
0.00000