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)
-0.33700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01128
0.01195
2
0.00000
0.01128
0.01195
3
0.00000
-0.06847
0.01223
4
0.00000
0.06847
0.01223
5
0.00000
0.04139
-0.03585
6
0.00000
-0.04139
-0.03586
7
0.00000
-0.00700
-0.01665
8
0.00000
0.00700
-0.01665
9
0.00000
-0.00266
-0.11311
10
0.00000
0.00266
-0.11311
11
0.00000
-0.09242
0.06136
12
0.00000
0.09242
0.06136
13
0.00000
0.04165
0.04564
14
0.00000
-0.04165
0.04564
15
0.00000
-0.02044
0.02690
16
0.00000
0.02044
0.02690
17
0.00000
0.01894
0.00001
18
0.00000
-0.01894
0.00001
19
0.00000
0.00179
0.01025
20
0.00000
-0.00179
0.01025
21
0.00000
-0.02069
-0.06489
22
0.00000
0.02069
-0.06489
23
0.00000
-0.10029
0.05749
24
0.00000
0.10029
0.05749
25
0.00000
0.01710
0.05795
26
0.00000
-0.01710
0.05795
27
0.00000
-0.04756
-0.08808
28
0.00000
0.04755
-0.08808
29
0.00000
0.01892
0.00253
30
0.00000
-0.01892
0.00253
31
0.00000
-0.01134
0.00257
32
0.00000
0.01134
0.00257