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)
0.02800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01120
-0.02928
2
0.00000
0.01120
-0.02928
3
0.00000
0.00313
-0.00633
4
0.00000
-0.00313
-0.00633
5
0.00000
-0.00502
0.01599
6
0.00000
0.00502
0.01599
7
0.00000
0.02622
0.00057
8
0.00000
-0.02622
0.00057
9
0.00000
0.00239
-0.00434
10
0.00000
-0.00239
-0.00434
11
0.00000
-0.01313
-0.00195
12
0.00000
0.01313
-0.00195
13
0.00000
0.01067
-0.00719
14
0.00000
-0.01067
-0.00719
15
0.00000
0.00135
0.02303
16
0.00000
-0.00135
0.02303
17
0.00000
-0.00184
-0.01044
18
0.00000
0.00184
-0.01044
19
0.00000
0.02505
0.01888
20
0.00000
-0.02505
0.01888
21
0.00000
0.00034
0.25098
22
0.00000
-0.00034
0.25097
23
0.00000
-0.17681
-0.10427
24
0.00000
0.17681
-0.10427
25
0.00000
0.18529
-0.10398
26
0.00000
-0.18529
-0.10398
27
0.00000
-0.02210
0.00942
28
0.00000
0.02210
0.00942
29
0.00000
-0.00434
-0.27985
30
0.00000
0.00434
-0.27984
31
0.00000
0.40206
0.24023
32
0.00000
-0.40206
0.24023