Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.27100
Diff mu Y
(Debye)
-0.13500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00009
-0.00003
0.00000
2
-0.00009
-0.00003
0.00000
3
-0.00033
0.00015
0.00000
4
0.00007
-0.00203
0.00000
5
0.00007
-0.00205
0.00000
6
-0.00033
0.00015
0.00000
7
-0.00032
0.00122
0.00000
8
0.03058
0.00672
0.00000
9
0.03088
0.00678
0.00000
10
-0.00032
0.00124
0.00000
11
-0.00044
-0.00065
0.00000
12
-0.03394
-0.00678
0.00000
13
-0.03429
-0.00685
0.00000
14
-0.00043
-0.00064
0.00000
15
0.02207
-0.02429
0.00000
16
0.02185
-0.02405
0.00000
17
-0.00292
0.00329
0.00000
18
-0.00287
0.00322
0.00000
19
0.00037
0.00004
0.00000
20
0.00038
0.00009
0.00000
21
-0.00408
-0.00083
0.00000
22
-0.00415
-0.00084
0.00000
23
-0.25772
0.29407
0.00000
24
-0.25511
0.29108
0.00000
25
0.03366
-0.03660
0.00000
26
0.03300
-0.03586
0.00000
27
-0.00075
-0.00198
0.00000
28
-0.00098
-0.00269
0.00000
29
0.40454
0.08593
0.00000
30
0.40043
0.08505
0.00000
31
-0.35653
-0.07397
0.00000
32
-0.35308
-0.07326
0.00000
33
0.04675
0.00881
0.00000
34
0.04763
0.00899
0.00000