Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
-0.14600
Eigenvectors
#
X
Y
Z
1
0.00048
0.00000
-0.00013
2
-0.00048
0.00000
-0.00013
3
0.00004
0.00000
-0.00007
4
0.00020
0.00000
-0.00003
5
-0.00004
0.00000
-0.00007
6
-0.00020
0.00000
-0.00003
7
0.00033
0.00000
-0.00007
8
0.00540
0.00000
0.01401
9
-0.00033
0.00000
-0.00007
10
-0.00540
0.00000
0.01401
11
-0.00585
0.00000
0.01241
12
0.01869
0.00000
-0.03525
13
0.00585
0.00000
0.01241
14
-0.01869
0.00000
-0.03525
15
-0.01625
0.00000
-0.00093
16
0.03475
0.00000
0.00202
17
0.01625
0.00000
-0.00093
18
-0.03475
0.00000
0.00202
19
-0.00509
0.00000
0.00771
20
0.00509
0.00000
0.00771
21
0.00050
0.00000
0.00096
22
-0.00050
0.00000
0.00096
23
0.18130
0.00000
-0.00041
24
-0.38733
0.00000
-0.00743
25
-0.18126
0.00000
-0.00041
26
0.38734
0.00000
-0.00743
27
0.07361
0.00000
-0.13372
28
-0.22576
0.00000
0.38865
29
-0.07359
0.00000
-0.13368
30
0.22576
0.00000
0.38865
31
-0.08565
0.00000
-0.16540
32
0.08565
0.00000
-0.16542
33
0.05199
0.00000
-0.08928
34
-0.05199
0.00000
-0.08928