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)
-0.16500
Diff mu Y
(Debye)
-0.11700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02962
-0.00234
0.00000
2
-0.02966
-0.00224
0.00000
3
0.02288
-0.01307
0.00000
4
0.03970
0.00643
0.00000
5
0.03970
0.00642
0.00000
6
0.02287
-0.01306
0.00000
7
0.00032
-0.00644
0.00000
8
-0.02219
0.04364
0.00000
9
-0.02218
0.04368
0.00000
10
0.00027
-0.00648
0.00000
11
-0.00078
0.02638
0.00000
12
0.02701
-0.04220
0.00000
13
0.02699
-0.04220
0.00000
14
-0.00072
0.02632
0.00000
15
-0.05961
-0.02870
0.00000
16
-0.05965
-0.02870
0.00000
17
0.01104
0.01951
0.00000
18
0.01101
0.01952
0.00000
19
0.03433
-0.01450
0.00000
20
0.03434
-0.01449
0.00000
21
-0.01040
-0.02068
0.00000
22
-0.01038
-0.02067
0.00000
23
0.21508
0.21486
0.00000
24
0.21502
0.21484
0.00000
25
-0.12057
-0.09168
0.00000
26
-0.12045
-0.09153
0.00000
27
-0.19352
0.05872
0.00000
28
-0.19352
0.05873
0.00000
29
-0.04372
0.30658
0.00000
30
-0.04371
0.30664
0.00000
31
0.03237
-0.21102
0.00000
32
0.03231
-0.21085
0.00000
33
-0.03994
0.10265
0.00000
34
-0.03994
0.10276
0.00000