Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.22700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00024
-0.00030
2
0.00000
-0.00024
0.00030
3
0.00000
0.00006
0.00004
4
0.00000
0.00006
-0.00004
5
0.00000
0.00153
-0.00055
6
0.00000
0.00153
0.00055
7
0.00000
-0.00003
0.00002
8
0.00000
-0.00003
-0.00002
9
0.00000
0.02729
0.04799
10
0.00000
0.02729
-0.04799
11
0.00000
-0.00061
0.00072
12
0.00000
-0.00061
-0.00072
13
0.00000
-0.00644
-0.01157
14
0.00000
-0.00644
0.01157
15
0.00000
0.00583
0.00051
16
0.00000
0.00583
-0.00051
17
0.00000
0.00032
0.00000
18
0.00000
0.00032
0.00000
19
0.00000
-0.00015
0.00025
20
0.00000
-0.00015
-0.00025
21
0.00000
-0.07263
-0.00063
22
0.00000
-0.07262
0.00063
23
0.00000
0.00633
-0.01030
24
0.00000
0.00633
0.01030
25
0.00000
0.07254
0.13420
26
0.00000
0.07253
-0.13419
27
0.00000
-0.33271
-0.56381
28
0.00000
-0.33271
0.56381
29
0.00000
-0.00350
0.00003
30
0.00000
-0.00350
-0.00003
31
0.00000
0.00182
-0.00306
32
0.00000
0.00182
0.00306