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)
0.07500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00462
0.02187
2
0.00000
-0.00463
-0.02187
3
0.00000
-0.02655
0.03621
4
0.00000
-0.02655
-0.03621
5
0.00000
0.08446
-0.04428
6
0.00000
0.08446
0.04428
7
0.00000
-0.02997
0.00339
8
0.00000
-0.02997
-0.00339
9
0.00000
-0.00397
-0.01169
10
0.00000
-0.00397
0.01169
11
0.00000
0.03080
0.00416
12
0.00000
0.03080
-0.00416
13
0.00000
-0.00844
-0.02482
14
0.00000
-0.00844
0.02482
15
0.00000
-0.03346
-0.01035
16
0.00000
-0.03346
0.01035
17
0.00000
0.00574
-0.03629
18
0.00000
0.00574
0.03629
19
0.00000
0.00469
0.00992
20
0.00000
0.00469
-0.00992
21
0.00000
-0.03721
-0.03700
22
0.00000
-0.03721
0.03700
23
0.00000
0.19023
0.10287
24
0.00000
0.19024
-0.10288
25
0.00000
-0.27525
0.11579
26
0.00000
-0.27524
-0.11579
27
0.00000
-0.24421
0.13301
28
0.00000
-0.24421
-0.13301
29
0.00000
0.00558
-0.22453
30
0.00000
0.00558
0.22453
31
0.00000
0.13845
0.08832
32
0.00000
0.13845
-0.08832