Charge: -1
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-1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
-0.00429
0.02536
0.00000
2
0.00429
-0.02536
0.00000
3
0.01518
0.04968
0.00000
4
0.03677
0.00049
0.00000
5
-0.03677
-0.00049
0.00000
6
-0.01518
-0.04968
0.00000
7
-0.00955
0.04111
0.00000
8
-0.05575
0.03823
0.00000
9
0.05575
-0.03823
0.00000
10
0.00955
-0.04111
0.00000
11
0.02367
0.02192
0.00000
12
0.04656
-0.01474
0.00000
13
-0.04656
0.01474
0.00000
14
-0.02367
-0.02192
0.00000
15
0.07283
-0.02969
0.00000
16
-0.07283
0.02969
0.00000
17
-0.04742
0.02535
0.00000
18
0.04742
-0.02535
0.00000
19
-0.03007
-0.09297
0.00000
20
0.03007
0.09297
0.00000
21
0.05372
-0.01185
0.00000
22
-0.05372
0.01185
0.00000
23
0.11991
0.01025
0.00000
24
-0.11991
-0.01025
0.00000
25
-0.00728
0.05964
0.00000
26
0.00728
-0.05964
0.00000
27
-0.03044
-0.09388
0.00000
28
0.03044
0.09388
0.00000
29
-0.06491
0.11589
0.00000
30
0.06491
-0.11589
0.00000
31
0.07009
-0.11330
0.00000
32
-0.07009
0.11330
0.00000
33
0.04735
0.01840
0.00000
34
-0.04735
-0.01840
0.00000