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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03289
-0.00003
0.00001
2
0.03289
-0.00003
-0.00001
3
0.11107
0.00000
0.00004
4
-0.11107
0.00000
-0.00004
5
-0.10026
-0.00001
0.00000
6
0.10026
-0.00001
0.00000
7
0.02411
0.00003
0.00002
8
-0.02411
0.00003
-0.00002
9
0.06042
0.00000
0.00001
10
-0.06042
0.00000
-0.00001
11
-0.01857
0.00001
0.00001
12
0.01857
0.00001
-0.00001
13
0.00227
0.00000
-0.00003
14
-0.00227
0.00000
0.00003
15
0.00878
0.00003
-0.00001
16
-0.00878
0.00003
0.00001
17
-0.05769
0.00000
0.00001
18
0.05769
0.00000
-0.00001
19
0.04766
-0.00002
0.00002
20
-0.04766
-0.00002
-0.00002
21
0.01064
0.00003
0.00000
22
-0.01064
0.00003
0.00000
23
-0.13108
-0.00003
-0.00002
24
0.13108
-0.00003
0.00002
25
0.07277
-0.00001
-0.00002
26
-0.07277
-0.00001
0.00002
27
0.21155
-0.00001
0.00001
28
-0.21155
-0.00001
-0.00001
29
-0.07487
0.00000
-0.00003
30
0.07487
0.00000
0.00003
31
0.14678
-0.00001
0.00003
32
-0.14678
-0.00001
-0.00003