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)
-0.21300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02345
0.00000
-0.03613
2
0.02345
0.00000
0.03613
3
-0.03387
0.00000
0.00395
4
-0.01335
0.00000
0.06863
5
-0.03387
0.00000
-0.00395
6
-0.01335
0.00000
-0.06863
7
-0.03483
0.00000
0.03903
8
-0.01755
0.00000
0.10372
9
-0.03483
0.00000
-0.03902
10
-0.01755
0.00000
-0.10372
11
-0.03971
0.00000
0.05692
12
-0.02558
0.00000
0.02671
13
-0.03971
0.00000
-0.05691
14
-0.02558
0.00000
-0.02671
15
0.03603
0.00000
0.01243
16
0.05583
0.00000
-0.02408
17
0.03604
0.00000
-0.01243
18
0.05583
0.00000
0.02408
19
-0.00093
0.00000
0.02634
20
-0.00093
0.00000
-0.02634
21
0.05876
0.00000
0.01428
22
0.05876
0.00000
-0.01428
23
0.03594
0.00000
-0.05279
24
0.05650
0.00000
-0.06875
25
0.03594
0.00000
0.05279
26
0.05650
0.00000
0.06875
27
-0.07434
0.00000
0.03772
28
-0.10771
0.00000
-0.02107
29
-0.07433
0.00000
-0.03772
30
-0.10771
0.00000
0.02107
31
-0.04483
0.00000
0.11942
32
-0.04483
0.00000
-0.11943
33
0.03613
0.00000
0.04819
34
0.03613
0.00000
-0.04819