Charge: 2
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+2
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
-0.00493
-0.01508
0.00000
2
0.00493
0.01507
0.00000
3
-0.02415
0.00704
0.00000
4
-0.01133
0.04944
0.00000
5
0.01133
-0.04944
0.00000
6
0.02415
-0.00704
0.00000
7
0.01304
0.02600
0.00000
8
0.04701
0.05480
0.00000
9
-0.04701
-0.05480
0.00000
10
-0.01303
-0.02600
0.00000
11
-0.04416
0.01151
0.00000
12
-0.10450
-0.03427
0.00000
13
0.10451
0.03427
0.00000
14
0.04416
-0.01151
0.00000
15
-0.02320
0.07576
0.00000
16
0.02319
-0.07576
0.00000
17
-0.01511
-0.03508
0.00000
18
0.01511
0.03509
0.00000
19
-0.02181
-0.06943
0.00000
20
0.02181
0.06943
0.00000
21
0.04270
0.00700
0.00000
22
-0.04270
-0.00700
0.00000
23
-0.06968
0.03409
0.00000
24
0.06967
-0.03408
0.00000
25
0.02608
-0.00040
0.00000
26
-0.02608
0.00040
0.00001
27
-0.07457
-0.05316
0.00000
28
0.07456
0.05316
0.00001
29
0.10574
0.02726
0.00000
30
-0.10574
-0.02726
-0.00001
31
-0.04596
-0.06329
0.00000
32
0.04596
0.06328
0.00000
33
0.03332
0.04771
0.00000
34
-0.03331
-0.04770
0.00001