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)
0.23400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01536
-0.08813
2
0.00000
-0.01536
0.08813
3
0.00000
0.03788
0.06330
4
0.00000
0.03788
-0.06330
5
0.00000
0.03502
0.05894
6
0.00000
0.03502
-0.05894
7
0.00000
-0.00913
-0.01898
8
0.00000
-0.00913
0.01898
9
0.00000
-0.00331
-0.01330
10
0.00000
-0.00331
0.01330
11
0.00000
-0.07167
-0.07113
12
0.00000
-0.07167
0.07113
13
0.00000
-0.01264
-0.03655
14
0.00000
-0.01264
0.03655
15
0.00000
0.02260
0.08532
16
0.00000
0.02260
-0.08532
17
0.00000
0.00067
0.00246
18
0.00000
0.00067
-0.00246
19
0.00000
0.00149
0.00167
20
0.00000
0.00149
-0.00168
21
0.00000
0.02622
-0.10299
22
0.00000
0.02621
0.10300
23
0.00000
0.14711
0.06479
24
0.00000
0.14711
-0.06479
25
0.00000
-0.01455
-0.03781
26
0.00000
-0.01455
0.03781
27
0.00000
0.01633
-0.02332
28
0.00000
0.01633
0.02332
29
0.00000
0.00002
-0.02938
30
0.00000
0.00002
0.02938
31
0.00000
-0.00305
-0.00088
32
0.00000
-0.00306
0.00088