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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
1.59200
Eigenvectors
#
X
Y
Z
1
-0.02488
0.00000
0.02905
2
0.02488
0.00000
0.02904
3
0.06344
0.00000
-0.02621
4
-0.03198
0.00000
-0.02324
5
-0.06344
0.00000
-0.02621
6
0.03198
0.00000
-0.02324
7
0.03407
0.00000
0.06001
8
0.03961
0.00000
0.01046
9
-0.03407
0.00000
0.06001
10
-0.03961
0.00000
0.01046
11
-0.07257
0.00000
-0.05457
12
-0.05084
0.00000
-0.02343
13
0.07257
0.00000
-0.05457
14
0.05084
0.00000
-0.02343
15
0.02835
0.00000
0.04750
16
0.01071
0.00000
0.02330
17
-0.02835
0.00000
0.04750
18
-0.01071
0.00000
0.02330
19
-0.05767
0.00000
-0.02330
20
0.05767
0.00000
-0.02330
21
-0.00550
0.00000
-0.03671
22
0.00550
0.00000
-0.03671
23
0.03230
0.00000
-0.06110
24
0.01275
0.00000
-0.00193
25
-0.03230
0.00000
-0.06111
26
-0.01275
0.00000
-0.00193
27
0.21581
0.00000
0.11398
28
0.09710
0.00000
0.06808
29
-0.21581
0.00000
0.11398
30
-0.09710
0.00000
0.06808
31
-0.04464
0.00000
0.05953
32
0.04465
0.00000
0.05954
33
0.01824
0.00000
0.02574
34
-0.01824
0.00000
0.02574