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)
0.00000
Diff mu Z
(Debye)
0.13700
Eigenvectors
#
X
Y
Z
1
0.00000
0.01138
-0.05905
2
0.00000
-0.01138
-0.05905
3
0.00000
0.06863
-0.01234
4
0.00000
-0.06863
-0.01234
5
0.00000
-0.00158
-0.06135
6
0.00000
0.00158
-0.06135
7
0.00000
0.01200
0.02250
8
0.00000
-0.01200
0.02249
9
0.00000
-0.00433
-0.08061
10
0.00000
0.00433
-0.08061
11
0.00000
0.08773
0.03497
12
0.00000
-0.08773
0.03497
13
0.00000
-0.00356
0.01812
14
0.00000
0.00356
0.01812
15
0.00000
0.05996
0.05960
16
0.00000
-0.05996
0.05960
17
0.00000
0.00221
0.02878
18
0.00000
-0.00221
0.02878
19
0.00000
-0.00136
0.03280
20
0.00000
0.00136
0.03280
21
0.00000
0.05985
0.10438
22
0.00000
-0.05985
0.10438
23
0.00000
0.11514
0.05040
24
0.00000
-0.11514
0.05040
25
0.00000
-0.07056
0.05514
26
0.00000
0.07056
0.05513
27
0.00000
-0.00843
-0.07902
28
0.00000
0.00843
-0.07902
29
0.00000
0.00284
0.03545
30
0.00000
-0.00284
0.03545
31
0.00000
-0.00453
0.03115
32
0.00000
0.00453
0.03115