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)
-0.19800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00251
0.00000
-0.03064
2
-0.00251
0.00000
0.03064
3
-0.08728
0.00000
-0.00981
4
0.08046
0.00000
-0.00272
5
-0.08728
0.00000
0.00981
6
0.08046
0.00000
0.00272
7
0.01617
0.00000
0.00113
8
-0.03185
0.00000
-0.03803
9
0.01617
0.00000
-0.00113
10
-0.03185
0.00000
0.03803
11
0.05768
0.00000
-0.04054
12
-0.04539
0.00000
0.04432
13
0.05768
0.00000
0.04054
14
-0.04539
0.00000
-0.04432
15
-0.05471
0.00000
0.01722
16
0.07437
0.00000
-0.00198
17
-0.05471
0.00000
-0.01722
18
0.07437
0.00000
0.00198
19
-0.01186
0.00000
0.03468
20
-0.01186
0.00000
-0.03469
21
0.00218
0.00000
0.02200
22
0.00218
0.00000
-0.02200
23
-0.05603
0.00000
0.09345
24
0.07843
0.00000
-0.06472
25
-0.05603
0.00000
-0.09345
26
0.07843
0.00000
0.06472
27
0.12525
0.00000
-0.00425
28
-0.07576
0.00000
0.02812
29
0.12526
0.00000
0.00425
30
-0.07577
0.00000
-0.02812
31
-0.04310
0.00000
-0.03214
32
-0.04310
0.00000
0.03214
33
0.00392
0.00000
0.04539
34
0.00392
0.00000
-0.04539