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)
-844.54925
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00596
-0.05399
0.00000
2
-0.00595
0.05400
0.00000
3
0.08375
0.04242
0.00000
4
0.05416
0.05274
0.00000
5
-0.05416
-0.05274
0.00000
6
-0.08375
-0.04242
0.00000
7
-0.07747
-0.03606
0.00000
8
-0.00678
-0.04824
0.00000
9
0.00678
0.04824
0.00000
10
0.07747
0.03606
0.00000
11
-0.01025
0.03717
0.00000
12
-0.02013
0.00798
0.00000
13
0.02013
-0.00798
0.00000
14
0.01025
-0.03717
0.00000
15
-0.01648
-0.00417
0.00000
16
0.01648
0.00417
0.00000
17
-0.04031
-0.04113
0.00000
18
0.04031
0.04113
0.00000
19
0.04391
-0.00866
0.00000
20
-0.04391
0.00866
0.00000
21
-0.00589
0.04432
0.00000
22
0.00589
-0.04432
0.00000
23
0.12640
0.12112
0.00000
24
-0.12641
-0.12112
0.00000
25
0.06060
0.04856
0.00000
26
-0.06059
-0.04856
0.00000
27
0.01776
0.00052
0.00000
28
-0.01775
-0.00052
0.00000
29
0.02364
-0.02840
0.00000
30
-0.02365
0.02841
0.00000
31
-0.00583
0.12900
0.00000
32
0.00583
-0.12900
0.00000
33
-0.01037
0.06162
0.00000
34
0.01037
-0.06163
0.00000