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)
0.00100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.07100
Eigenvectors
#
X
Y
Z
1
0.00015
0.00000
-0.00035
2
-0.00015
0.00000
-0.00035
3
0.00006
0.00000
0.00005
4
0.00018
0.00000
-0.00002
5
-0.00006
0.00000
0.00005
6
-0.00018
0.00000
-0.00002
7
-0.00065
0.00000
0.00007
8
0.00003
0.00000
0.00061
9
0.00063
0.00000
0.00007
10
-0.00004
0.00000
0.00065
11
0.01181
0.00000
-0.01657
12
0.00403
0.00000
-0.00443
13
-0.01144
0.00000
-0.01605
14
-0.00416
0.00000
-0.00458
15
-0.04685
0.00000
0.00094
16
-0.02986
0.00000
-0.00028
17
0.04542
0.00000
0.00090
18
0.03079
0.00000
-0.00029
19
-0.00078
0.00000
0.00129
20
0.00071
0.00000
0.00117
21
0.00011
0.00000
-0.00233
22
-0.00011
0.00000
-0.00226
23
0.53330
0.00000
-0.00465
24
0.33782
0.00000
0.00627
25
-0.51699
0.00000
-0.00451
26
-0.34827
0.00000
0.00647
27
-0.12195
0.00000
0.20493
28
-0.03842
0.00000
0.06192
29
0.11815
0.00000
0.19854
30
0.03964
0.00000
0.06388
31
-0.00261
0.00000
-0.00498
32
0.00279
0.00000
-0.00530
33
0.00868
0.00000
-0.01358
34
-0.00789
0.00000
-0.01226