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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
-1.37200
Diff mu Y
(Debye)
2.04500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00130
0.04125
0.00000
2
-0.00130
0.04125
0.00000
3
0.03920
-0.03231
0.00000
4
-0.00190
-0.00820
0.00000
5
-0.00190
-0.00820
0.00000
6
0.03920
-0.03231
0.00000
7
0.01973
-0.03919
0.00000
8
-0.02121
-0.00155
0.00000
9
-0.02121
-0.00155
0.00000
10
0.01973
-0.03919
0.00000
11
-0.07179
-0.07716
0.00000
12
0.02582
0.00158
0.00000
13
0.02582
0.00158
0.00000
14
-0.07179
-0.07716
0.00000
15
-0.00754
-0.00607
0.00000
16
-0.00754
-0.00607
0.00000
17
-0.01368
0.02912
0.00000
18
-0.01368
0.02912
0.00000
19
0.00170
0.03198
0.00000
20
0.00170
0.03198
0.00000
21
0.00522
-0.00377
0.00000
22
0.00522
-0.00377
0.00000
23
0.14453
0.11271
0.00000
24
0.14453
0.11271
0.00000
25
0.26333
0.26981
0.00000
26
0.26333
0.26981
0.00000
27
-0.05507
0.05508
0.00000
28
-0.05507
0.05508
0.00000
29
0.00154
0.15717
0.00000
30
0.00154
0.15717
0.00000
31
-0.05974
0.19674
0.00000
32
-0.05974
0.19674
0.00000
33
0.01199
-0.02577
0.00000
34
0.01199
-0.02577
0.00000