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)
0.11900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00059
0.00000
-0.02575
2
0.00059
0.00000
0.02575
3
0.01401
0.00000
-0.03800
4
-0.03164
0.00000
-0.02496
5
0.01401
0.00000
0.03800
6
-0.03165
0.00000
0.02497
7
-0.03349
0.00000
0.05827
8
0.05522
0.00000
-0.04204
9
-0.03349
0.00000
-0.05827
10
0.05522
0.00000
0.04204
11
-0.00215
0.00000
-0.04021
12
0.02921
0.00000
0.04221
13
-0.00215
0.00000
0.04021
14
0.02921
0.00000
-0.04221
15
-0.00013
0.00000
0.02982
16
-0.03204
0.00000
0.02417
17
-0.00013
0.00000
-0.02982
18
-0.03204
0.00000
-0.02417
19
0.01316
0.00000
-0.00720
20
0.01316
0.00000
0.00720
21
0.03453
0.00000
0.02444
22
0.03452
0.00000
-0.02444
23
0.00120
0.00000
-0.04993
24
-0.03717
0.00000
-0.05948
25
0.00120
0.00000
0.04993
26
-0.03718
0.00000
0.05948
27
0.12495
0.00000
0.02984
28
-0.28410
0.00000
-0.14147
29
0.12495
0.00000
-0.02983
30
-0.28410
0.00000
0.14147
31
-0.28112
0.00000
0.13495
32
-0.28112
0.00000
-0.13495
33
-0.08658
0.00000
-0.06629
34
-0.08658
0.00000
0.06629