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)
-0.84600
Diff mu Y
(Debye)
0.20500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00007
-0.00014
0.00000
2
0.00007
-0.00014
0.00000
3
-0.00060
0.00023
0.00000
4
-0.00001
-0.00026
0.00000
5
-0.00001
-0.00026
0.00000
6
-0.00060
0.00023
0.00000
7
0.00004
-0.00118
0.00000
8
0.00520
0.00114
0.00000
9
0.00519
0.00114
0.00000
10
0.00004
-0.00118
0.00000
11
0.00120
0.00142
0.00000
12
-0.00756
-0.00196
0.00000
13
-0.00757
-0.00196
0.00000
14
0.00120
0.00142
0.00000
15
-0.00167
0.00254
0.00000
16
-0.00167
0.00254
0.00000
17
0.02695
-0.03149
0.00000
18
0.02692
-0.03146
0.00000
19
-0.00276
-0.00025
0.00000
20
-0.00276
-0.00025
0.00000
21
0.03933
0.00831
0.00000
22
0.03929
0.00831
0.00000
23
0.01920
-0.02474
0.00000
24
0.01922
-0.02476
0.00000
25
-0.31422
0.35958
0.00000
26
-0.31392
0.35925
0.00000
27
0.00749
0.01204
0.00000
28
0.00748
0.01203
0.00000
29
0.08508
0.01817
0.00000
30
0.08501
0.01816
0.00000
31
-0.06053
-0.01091
0.00000
32
-0.06061
-0.01092
0.00000
33
-0.45353
-0.09642
0.00000
34
-0.45310
-0.09633
0.00000