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)
0.14000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00019
0.00032
2
0.00000
-0.00019
-0.00032
3
0.00000
-0.00163
-0.00022
4
0.00000
-0.00163
0.00022
5
0.00000
-0.00047
0.00015
6
0.00000
-0.00047
-0.00015
7
0.00000
0.00095
-0.00164
8
0.00000
0.00095
0.00164
9
0.00000
0.00027
0.00046
10
0.00000
0.00027
-0.00046
11
0.00000
0.01702
-0.02838
12
0.00000
0.01702
0.02838
13
0.00000
0.00336
0.00807
14
0.00000
0.00336
-0.00807
15
0.00000
0.02066
0.00056
16
0.00000
0.02066
-0.00056
17
0.00000
-0.04217
0.00003
18
0.00000
-0.04217
-0.00003
19
0.00000
-0.00550
0.01342
20
0.00000
-0.00550
-0.01342
21
0.00000
-0.22384
-0.00172
22
0.00000
-0.22383
0.00172
23
0.00000
-0.19655
0.31570
24
0.00000
-0.19655
-0.31570
25
0.00000
-0.04380
-0.08140
26
0.00000
-0.04380
0.08140
27
0.00000
-0.00239
-0.00487
28
0.00000
-0.00239
0.00486
29
0.00000
0.48173
-0.00447
30
0.00000
0.48173
0.00447
31
0.00000
0.07641
-0.13576
32
0.00000
0.07640
0.13576