Charge: 0
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
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)
-0.41600
Diff mu Y
(Debye)
-1.66300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00004
0.00004
0.00000
2
0.00004
0.00004
0.00000
3
0.00009
0.00030
0.00000
4
0.00003
0.00006
0.00000
5
0.00003
0.00006
0.00000
6
0.00009
0.00030
0.00000
7
0.00000
0.00124
0.00000
8
-0.00186
-0.00044
0.00000
9
-0.00186
-0.00044
0.00000
10
0.00000
0.00124
0.00000
11
0.00072
0.00104
0.00000
12
0.00108
0.00040
0.00000
13
0.00108
0.00040
0.00000
14
0.00072
0.00104
0.00000
15
0.00207
-0.00257
0.00000
16
0.00207
-0.00257
0.00000
17
0.01806
-0.01826
0.00000
18
0.01806
-0.01826
0.00000
19
-0.01434
-0.04553
0.00000
20
-0.01434
-0.04553
0.00000
21
-0.02706
-0.00363
0.00000
22
-0.02706
-0.00363
0.00000
23
-0.02477
0.02693
0.00000
24
-0.02477
0.02694
0.00000
25
-0.18703
0.21027
0.00000
26
-0.18703
0.21027
0.00000
27
0.16429
0.50534
0.00000
28
0.16429
0.50533
0.00000
29
-0.01319
-0.00324
0.00000
30
-0.01320
-0.00324
0.00000
31
0.02123
0.00341
0.00000
32
0.02123
0.00341
0.00000
33
0.29151
0.05931
0.00000
34
0.29150
0.05931
0.00000