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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.11400
Diff mu Y
(Debye)
0.31900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01530
-0.04556
0.00000
2
0.01530
-0.04556
0.00000
3
-0.02382
-0.03156
0.00000
4
0.02450
-0.02411
0.00000
5
0.02449
-0.02411
0.00000
6
-0.02382
-0.03156
0.00000
7
-0.06215
-0.02932
0.00000
8
-0.04074
-0.01070
0.00000
9
-0.04074
-0.01071
0.00000
10
-0.06215
-0.02933
0.00000
11
0.03819
0.02592
0.00000
12
0.08755
0.02121
0.00000
13
0.08755
0.02121
0.00000
14
0.03819
0.02592
0.00000
15
0.07158
0.02952
0.00000
16
0.07158
0.02952
0.00000
17
-0.00969
0.05046
0.00000
18
-0.00969
0.05046
0.00000
19
-0.02064
0.03410
0.00000
20
-0.02064
0.03410
0.00000
21
-0.08086
-0.02648
0.00000
22
-0.08087
-0.02649
0.00000
23
0.05462
0.01336
0.00000
24
0.05463
0.01336
0.00000
25
-0.03880
0.02467
0.00000
26
-0.03881
0.02467
0.00000
27
0.03605
0.01526
0.00000
28
0.03604
0.01526
0.00000
29
0.08213
0.05190
0.00000
30
0.08214
0.05190
0.00000
31
-0.04991
0.03061
0.00000
32
-0.04990
0.03062
0.00000
33
-0.07475
-0.05799
0.00000
34
-0.07476
-0.05799
0.00000