Charge: -1
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/q-1
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)
-1.06200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.05226
0.04927
2
0.00000
0.05226
-0.04927
3
0.00000
0.03609
0.09165
4
0.00000
0.03609
-0.09165
5
0.00000
0.01428
-0.00886
6
0.00000
0.01428
0.00886
7
0.00000
0.00843
0.05570
8
0.00000
0.00843
-0.05570
9
0.00000
-0.01332
-0.06690
10
0.00000
-0.01331
0.06690
11
0.00000
-0.01573
0.01287
12
0.00000
-0.01573
-0.01287
13
0.00000
-0.02341
-0.02443
14
0.00000
-0.02341
0.02443
15
0.00000
-0.02853
-0.00667
16
0.00000
-0.02853
0.00667
17
0.00000
-0.05910
-0.01102
18
0.00000
-0.05910
0.01102
19
0.00000
0.03867
-0.08659
20
0.00000
0.03867
0.08659
21
0.00000
-0.03165
0.01427
22
0.00000
-0.03165
-0.01427
23
0.00000
-0.07215
-0.01876
24
0.00000
-0.07215
0.01876
25
0.00000
-0.01392
-0.03336
26
0.00000
-0.01392
0.03336
27
0.00000
0.06665
-0.11577
28
0.00000
0.06665
0.11577
29
0.00000
-0.05740
0.03296
30
0.00000
-0.05740
-0.03296
31
0.00000
-0.00642
-0.11571
32
0.00000
-0.00642
0.11571