Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.47700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00020
0.00000
0.00046
2
-0.00020
0.00000
-0.00046
3
0.00006
0.00000
-0.00002
4
0.00154
0.00000
-0.00170
5
0.00006
0.00000
0.00002
6
0.00154
0.00000
0.00170
7
0.00001
0.00000
-0.00001
8
0.02335
0.00000
0.04250
9
0.00001
0.00000
0.00001
10
0.02335
0.00000
-0.04250
11
-0.00024
0.00000
0.00057
12
-0.01717
0.00000
0.02808
13
-0.00024
0.00000
-0.00057
14
-0.01717
0.00000
-0.02808
15
-0.00156
0.00000
-0.00006
16
-0.01459
0.00000
-0.00181
17
-0.00156
0.00000
0.00006
18
-0.01459
0.00000
0.00181
19
-0.00005
0.00000
0.00009
20
-0.00005
0.00000
-0.00009
21
0.00020
0.00000
0.00077
22
0.00020
0.00000
-0.00077
23
0.01708
0.00000
-0.00045
24
0.15606
0.00000
0.00464
25
0.01707
0.00000
0.00045
26
0.15606
0.00000
-0.00464
27
0.00341
0.00000
-0.00662
28
0.18219
0.00000
-0.30824
29
0.00340
0.00000
0.00662
30
0.18219
0.00000
0.30824
31
-0.25638
0.00000
-0.48363
32
-0.25637
0.00000
0.48363
33
0.00049
0.00000
-0.00100
34
0.00049
0.00000
0.00100