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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.14400
Eigenvectors
#
X
Y
Z
1
-0.01952
0.00000
-0.01643
2
0.01952
0.00000
-0.01643
3
-0.01375
0.00000
-0.00092
4
0.00524
0.00000
-0.05976
5
0.01375
0.00000
-0.00092
6
-0.00524
0.00000
-0.05976
7
-0.02944
0.00000
0.02249
8
-0.01494
0.00000
-0.09635
9
0.02944
0.00000
0.02250
10
0.01494
0.00000
-0.09635
11
-0.04675
0.00000
0.07866
12
-0.02057
0.00000
-0.04301
13
0.04675
0.00000
0.07866
14
0.02057
0.00000
-0.04300
15
-0.05559
0.00000
0.07568
16
-0.02618
0.00000
-0.01375
17
0.05558
0.00000
0.07568
18
0.02618
0.00000
-0.01375
19
-0.00172
0.00000
0.01476
20
0.00172
0.00000
0.01476
21
-0.03777
0.00000
0.03739
22
0.03777
0.00000
0.03739
23
-0.05741
0.00000
0.07591
24
-0.02448
0.00000
-0.06309
25
0.05741
0.00000
0.07590
26
0.02448
0.00000
-0.06310
27
-0.01897
0.00000
0.09702
28
0.02427
0.00000
-0.01728
29
0.01897
0.00000
0.09702
30
-0.02427
0.00000
-0.01728
31
-0.00682
0.00000
-0.10140
32
0.00682
0.00000
-0.10140
33
0.01148
0.00000
0.02348
34
-0.01149
0.00000
0.02349