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)
-1.13200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00034
-0.00032
2
0.00000
0.00034
0.00032
3
0.00000
0.00106
0.00060
4
0.00000
0.00106
-0.00060
5
0.00000
0.00015
-0.00008
6
0.00000
0.00015
0.00008
7
0.00000
0.00027
-0.00071
8
0.00000
0.00027
0.00071
9
0.00000
-0.00005
-0.00010
10
0.00000
-0.00005
0.00010
11
0.00000
-0.02282
0.03629
12
0.00000
-0.02282
-0.03629
13
0.00000
-0.00102
-0.00346
14
0.00000
-0.00102
0.00346
15
0.00000
-0.01237
-0.00100
16
0.00000
-0.01237
0.00100
17
0.00000
-0.03642
0.00036
18
0.00000
-0.03642
-0.00036
19
0.00000
-0.00256
0.00760
20
0.00000
-0.00256
-0.00760
21
0.00000
0.12912
0.00188
22
0.00000
0.12913
-0.00188
23
0.00000
0.26184
-0.42476
24
0.00000
0.26184
0.42476
25
0.00000
0.01616
0.03116
26
0.00000
0.01616
-0.03116
27
0.00000
0.00044
0.00115
28
0.00000
0.00044
-0.00115
29
0.00000
0.42654
-0.00180
30
0.00000
0.42655
0.00180
31
0.00000
0.04002
-0.07232
32
0.00000
0.04002
0.07232