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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.53600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03698
-0.00925
2
0.00000
0.03698
0.00925
3
0.00000
-0.00085
-0.00350
4
0.00000
-0.00085
0.00350
5
0.00000
-0.02638
-0.00653
6
0.00000
-0.02638
0.00653
7
0.00000
0.02538
0.00342
8
0.00000
0.02538
-0.00342
9
0.00000
0.01334
0.01964
10
0.00000
0.01333
-0.01964
11
0.00000
-0.03866
-0.05785
12
0.00000
-0.03866
0.05785
13
0.00000
-0.02602
0.06310
14
0.00000
-0.02602
-0.06310
15
0.00000
0.06454
-0.00396
16
0.00000
0.06454
0.00396
17
0.00000
-0.03403
-0.00695
18
0.00000
-0.03403
0.00695
19
0.00000
0.01809
0.00188
20
0.00000
0.01809
-0.00188
21
0.00000
0.07262
-0.06865
22
0.00000
0.07262
0.06866
23
0.00000
-0.25750
-0.19629
24
0.00000
-0.25750
0.19629
25
0.00000
-0.28875
0.21334
26
0.00000
-0.28875
-0.21334
27
0.00000
0.01792
0.01862
28
0.00000
0.01791
-0.01862
29
0.00000
-0.03969
-0.11485
30
0.00000
-0.03969
0.11485
31
0.00000
0.10980
0.05423
32
0.00000
0.10980
-0.05423