Charge: 1
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+1
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
-0.26800
Diff mu Y
(Debye)
0.50800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01434
0.03673
0.00000
2
-0.01434
0.03673
0.00000
3
-0.00008
-0.00654
0.00000
4
0.00994
0.04844
0.00000
5
0.00994
0.04844
0.00000
6
-0.00008
-0.00654
0.00000
7
-0.04461
-0.00714
0.00000
8
0.04819
0.07003
0.00000
9
0.04819
0.07003
0.00000
10
-0.04461
-0.00714
0.00000
11
0.03619
-0.02064
0.00000
12
-0.06559
-0.03573
0.00000
13
-0.06559
-0.03573
0.00000
14
0.03619
-0.02064
0.00000
15
0.03101
-0.07633
0.00000
16
0.03101
-0.07633
0.00000
17
0.03214
0.00616
0.00000
18
0.03214
0.00616
0.00000
19
0.03018
0.02903
0.00000
20
0.03018
0.02903
0.00000
21
-0.06961
-0.03869
0.00000
22
-0.06961
-0.03869
0.00000
23
0.06253
-0.04738
0.00000
24
0.06253
-0.04738
0.00000
25
0.00628
-0.01662
0.00000
26
0.00628
-0.01662
0.00000
27
0.09413
0.00536
0.00000
28
0.09413
0.00536
0.00000
29
-0.06413
-0.02830
0.00000
30
-0.06413
-0.02830
0.00000
31
0.03158
0.14653
0.00000
32
0.03158
0.14653
0.00000
33
-0.05215
-0.12297
0.00000
34
-0.05215
-0.12297
0.00000