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)
0.11900
Eigenvectors
#
X
Y
Z
1
0.00000
0.06384
-0.00158
2
0.00000
-0.06384
-0.00158
3
0.00000
0.06986
0.05820
4
0.00000
-0.06986
0.05820
5
0.00000
0.03598
-0.03666
6
0.00000
-0.03598
-0.03666
7
0.00000
0.03330
-0.09558
8
0.00000
-0.03330
-0.09558
9
0.00000
-0.00027
0.02029
10
0.00000
0.00027
0.02029
11
0.00000
-0.02045
0.00261
12
0.00000
0.02045
0.00261
13
0.00000
-0.00553
-0.00455
14
0.00000
0.00553
-0.00455
15
0.00000
-0.02631
0.00123
16
0.00000
0.02631
0.00123
17
0.00000
-0.01003
0.05336
18
0.00000
0.01003
0.05336
19
0.00000
-0.02882
-0.01476
20
0.00000
0.02882
-0.01476
21
0.00000
-0.02992
0.03048
22
0.00000
0.02992
0.03048
23
0.00000
-0.23910
-0.12809
24
0.00000
0.23909
-0.12808
25
0.00000
-0.12739
0.05945
26
0.00000
0.12740
0.05945
27
0.00000
-0.05062
0.05444
28
0.00000
0.05063
0.05444
29
0.00000
-0.01190
0.15293
30
0.00000
0.01190
0.15292
31
0.00000
0.06015
0.03840
32
0.00000
-0.06016
0.03841