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)
-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)
-0.08200
Eigenvectors
#
X
Y
Z
1
0.02053
0.00000
0.03009
2
-0.02053
0.00000
0.03009
3
-0.00071
0.00000
0.03027
4
0.00874
0.00000
0.03514
5
0.00071
0.00000
0.03027
6
-0.00874
0.00000
0.03514
7
-0.02594
0.00000
-0.00475
8
0.03224
0.00000
0.03725
9
0.02594
0.00000
-0.00475
10
-0.03224
0.00000
0.03725
11
-0.00539
0.00000
0.07732
12
0.04383
0.00000
-0.08440
13
0.00539
0.00000
0.07732
14
-0.04383
0.00000
-0.08440
15
0.06506
0.00000
0.03459
16
0.00330
0.00000
-0.04846
17
-0.06506
0.00000
0.03459
18
-0.00330
0.00000
-0.04846
19
0.01014
0.00000
-0.08911
20
-0.01014
0.00000
-0.08911
21
0.02852
0.00000
-0.01752
22
-0.02852
0.00000
-0.01752
23
0.06459
0.00000
0.02088
24
0.00387
0.00000
0.00152
25
-0.06459
0.00000
0.02088
26
-0.00387
0.00000
0.00153
27
-0.00345
0.00000
0.07756
28
0.00346
0.00000
-0.10903
29
0.00344
0.00000
0.07756
30
-0.00346
0.00000
-0.10903
31
-0.02977
-0.00001
0.06843
32
0.02977
0.00001
0.06843
33
0.05726
0.00000
-0.06445
34
-0.05726
0.00000
-0.06445