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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
0.19700
Eigenvectors
#
X
Y
Z
1
-0.00737
0.00000
-0.03630
2
0.00737
0.00000
-0.03630
3
0.02329
0.00000
0.02341
4
0.03968
0.00000
-0.04121
5
-0.02329
0.00000
0.02341
6
-0.03968
0.00000
-0.04121
7
0.05654
0.00000
0.05806
8
-0.02981
0.00000
0.02255
9
-0.05654
0.00000
0.05806
10
0.02981
0.00000
0.02255
11
0.00262
0.00000
0.00694
12
0.01825
0.00000
-0.00770
13
-0.00261
0.00000
0.00694
14
-0.01825
0.00000
-0.00770
15
-0.01391
0.00000
-0.01009
16
0.00812
0.00000
0.00526
17
0.01392
0.00000
-0.01009
18
-0.00812
0.00000
0.00526
19
-0.01005
0.00000
-0.03738
20
0.01005
0.00000
-0.03738
21
-0.00448
0.00000
0.04552
22
0.00448
0.00000
0.04552
23
-0.01587
0.00000
-0.13836
24
0.01165
0.00000
-0.09251
25
0.01587
0.00000
-0.13835
26
-0.01165
0.00000
-0.09253
27
-0.19864
0.00000
-0.10709
28
0.11031
0.00000
0.04539
29
0.19863
0.00000
-0.10708
30
-0.11031
0.00000
0.04539
31
-0.24583
0.00000
0.14006
32
0.24584
0.00000
0.14006
33
-0.26364
0.00000
-0.19361
34
0.26363
0.00000
-0.19361