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)
1.73200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00060
0.00000
0.00023
2
-0.00060
0.00000
-0.00023
3
-0.00012
0.00000
0.00011
4
0.00057
0.00000
-0.00064
5
-0.00012
0.00000
-0.00011
6
0.00057
0.00000
0.00064
7
-0.00115
0.00000
-0.00039
8
0.00958
0.00000
0.02042
9
-0.00115
0.00000
0.00039
10
0.00958
0.00000
-0.02042
11
0.01229
0.00000
-0.02591
12
0.00944
0.00000
-0.01922
13
0.01229
0.00000
0.02590
14
0.00944
0.00000
0.01921
15
0.03194
0.00000
0.00185
16
0.02754
0.00000
0.00121
17
0.03194
0.00000
-0.00185
18
0.02753
0.00000
-0.00121
19
0.00128
0.00000
-0.00218
20
0.00128
0.00000
0.00218
21
-0.00045
0.00000
0.00007
22
-0.00045
0.00000
-0.00007
23
-0.35565
0.00000
-0.00055
24
-0.30995
0.00000
-0.00464
25
-0.35561
0.00000
0.00055
26
-0.30990
0.00000
0.00464
27
-0.15294
0.00000
0.27825
28
-0.12134
0.00000
0.21098
29
-0.15291
0.00000
-0.27821
30
-0.12130
0.00000
-0.21091
31
-0.12246
0.00000
-0.23476
32
-0.12245
0.00000
0.23474
33
-0.01322
0.00000
0.02529
34
-0.01318
0.00000
-0.02522