Charge: 2
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+2
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)
0.00000
Diff mu Z
(Debye)
-0.89800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00348
-0.04841
2
0.00000
-0.00348
-0.04841
3
0.00000
0.03195
-0.00082
4
0.00000
-0.03195
-0.00082
5
0.00000
-0.00424
-0.01935
6
0.00000
0.00423
-0.01935
7
0.00000
0.00867
0.04395
8
0.00000
-0.00867
0.04395
9
0.00000
0.00853
0.02670
10
0.00000
-0.00853
0.02669
11
0.00000
-0.02118
0.02777
12
0.00000
0.02118
0.02777
13
0.00000
0.02405
0.00504
14
0.00000
-0.02405
0.00504
15
0.00000
-0.02107
-0.01682
16
0.00000
0.02107
-0.01682
17
0.00000
0.05484
0.04300
18
0.00000
-0.05484
0.04300
19
0.00000
0.10716
-0.07232
20
0.00000
-0.10716
-0.07232
21
0.00000
-0.02274
-0.12024
22
0.00000
0.02274
-0.12023
23
0.00000
0.02300
0.06088
24
0.00000
-0.02300
0.06088
25
0.00000
0.05474
-0.01098
26
0.00000
-0.05474
-0.01098
27
0.00000
0.05575
0.00259
28
0.00000
-0.05575
0.00259
29
0.00000
0.06485
0.21768
30
0.00000
-0.06485
0.21768
31
0.00000
0.23135
-0.01570
32
0.00000
-0.23135
-0.01570