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)
0.33100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00020
0.00029
2
0.00000
0.00020
0.00029
3
0.00000
-0.00160
-0.00040
4
0.00000
0.00160
-0.00040
5
0.00000
-0.00043
0.00012
6
0.00000
0.00043
0.00012
7
0.00000
0.00017
-0.00135
8
0.00000
-0.00017
-0.00135
9
0.00000
0.00054
0.00082
10
0.00000
-0.00054
0.00082
11
0.00000
0.01974
-0.03236
12
0.00000
-0.01974
-0.03236
13
0.00000
0.00278
0.00697
14
0.00000
-0.00278
0.00697
15
0.00000
0.01892
0.00073
16
0.00000
-0.01892
0.00073
17
0.00000
-0.03205
-0.00087
18
0.00000
0.03205
-0.00087
19
0.00000
-0.01436
0.02426
20
0.00000
0.01436
0.02426
21
0.00000
-0.20333
-0.00178
22
0.00000
0.20333
-0.00178
23
0.00000
-0.22746
0.36554
24
0.00000
0.22746
0.36554
25
0.00000
-0.03705
-0.06908
26
0.00000
0.03705
-0.06908
27
0.00000
-0.00559
-0.00963
28
0.00000
0.00559
-0.00963
29
0.00000
0.35706
-0.00248
30
0.00000
-0.35706
-0.00248
31
0.00000
0.15368
-0.26117
32
0.00000
-0.15368
-0.26117