Charge: 0
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
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)
0.06000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00095
0.00000
0.00762
2
-0.00095
0.00000
-0.00763
3
-0.05223
0.00000
-0.01584
4
-0.02880
0.00000
-0.03635
5
-0.05223
0.00000
0.01584
6
-0.02880
0.00000
0.03635
7
-0.02816
0.00000
-0.04744
8
-0.02195
0.00000
-0.06189
9
-0.02816
0.00000
0.04744
10
-0.02195
0.00000
0.06189
11
-0.03325
0.00000
0.05948
12
-0.02000
0.00000
0.04459
13
-0.03325
0.00000
-0.05948
14
-0.02000
0.00000
-0.04458
15
0.04372
0.00000
0.00598
16
0.04782
0.00000
0.01898
17
0.04372
0.00000
-0.00598
18
0.04782
0.00000
-0.01898
19
0.04137
0.00000
-0.09624
20
0.04137
0.00000
0.09624
21
0.04570
0.00000
0.00083
22
0.04570
0.00000
-0.00083
23
0.04416
0.00000
-0.06158
24
0.04993
0.00000
-0.03294
25
0.04416
0.00000
0.06158
26
0.04993
0.00000
0.03294
27
-0.03198
0.00000
0.06150
28
0.00073
0.00000
0.05721
29
-0.03198
0.00000
-0.06150
30
0.00073
0.00000
-0.05721
31
0.05284
0.00000
-0.10364
32
0.05284
0.00000
0.10364
33
-0.03544
0.00000
-0.14360
34
-0.03544
0.00000
0.14360