Charge: 2
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+2
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.17900
Eigenvectors
#
X
Y
Z
1
-0.00626
0.00000
-0.02549
2
0.00626
0.00000
-0.02549
3
-0.01749
0.00000
0.01572
4
-0.00027
0.00000
-0.04561
5
0.01749
0.00000
0.01572
6
0.00027
0.00000
-0.04561
7
-0.02081
0.00000
0.03304
8
0.08145
0.00000
0.06128
9
0.02081
0.00000
0.03304
10
-0.08145
0.00000
0.06128
11
0.02305
0.00000
-0.01254
12
-0.02455
0.00000
0.04601
13
-0.02305
0.00000
-0.01254
14
0.02455
0.00000
0.04601
15
0.00387
0.00000
0.00479
16
-0.08115
0.00000
-0.03899
17
-0.00387
0.00000
0.00479
18
0.08115
0.00000
-0.03898
19
0.01513
0.00000
-0.02037
20
-0.01513
0.00000
-0.02037
21
-0.02944
0.00000
-0.01359
22
0.02944
0.00000
-0.01359
23
0.00448
0.00000
0.14011
24
-0.08377
0.00000
-0.26257
25
-0.00448
0.00000
0.14011
26
0.08377
0.00000
-0.26257
27
-0.02946
0.00000
-0.04292
28
-0.01892
0.00000
0.05923
29
0.02946
0.00000
-0.04292
30
0.01892
0.00000
0.05923
31
0.18640
0.00000
0.00922
32
-0.18640
0.00000
0.00922
33
0.13346
0.00000
0.04641
34
-0.13346
0.00000
0.04641