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)
0.02100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00183
0.00000
0.01724
2
0.00183
0.00000
-0.01724
3
0.01043
0.00000
0.03215
4
0.01702
0.00000
0.01024
5
0.01043
0.00000
-0.03215
6
0.01702
0.00000
-0.01024
7
0.00532
0.00000
0.01648
8
-0.06105
0.00000
-0.00875
9
0.00532
0.00000
-0.01648
10
-0.06105
0.00000
0.00875
11
0.00296
0.00000
0.02308
12
0.01332
0.00000
-0.06791
13
0.00297
0.00000
-0.02308
14
0.01332
0.00000
0.06791
15
0.00000
0.00000
-0.00730
16
0.06437
0.00000
0.06508
17
0.00000
0.00000
0.00730
18
0.06436
0.00000
-0.06508
19
-0.00272
0.00000
-0.02553
20
-0.00272
0.00000
0.02553
21
-0.02259
0.00000
-0.03006
22
-0.02259
0.00000
0.03006
23
-0.00068
0.00000
0.01804
24
0.06758
0.00000
0.31527
25
-0.00068
0.00000
-0.01804
26
0.06757
0.00000
-0.31526
27
-0.00161
0.00000
0.02260
28
-0.04594
0.00000
-0.11287
29
-0.00161
0.00000
-0.02260
30
-0.04593
0.00000
0.11286
31
-0.31110
0.00000
0.12028
32
-0.31110
0.00000
-0.12028
33
-0.05249
0.00000
-0.05637
34
-0.05249
0.00000
0.05637