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)
-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)
0.26400
Eigenvectors
#
X
Y
Z
1
0.00133
0.00000
0.06097
2
-0.00133
0.00000
0.06097
3
0.02272
0.00000
0.02110
4
0.03270
0.00000
0.02408
5
-0.02272
0.00000
0.02110
6
-0.03270
0.00000
0.02408
7
0.03596
0.00000
-0.02224
8
0.04104
0.00000
-0.01429
9
-0.03595
0.00000
-0.02225
10
-0.04103
0.00000
-0.01429
11
0.03976
0.00000
-0.06286
12
0.04495
0.00000
-0.06994
13
-0.03976
0.00000
-0.06286
14
-0.04495
0.00000
-0.06993
15
-0.07775
0.00000
0.00694
16
-0.08498
0.00000
0.00511
17
0.07775
0.00000
0.00694
18
0.08498
0.00000
0.00511
19
0.00044
0.00000
0.00319
20
-0.00044
0.00000
0.00318
21
0.00555
0.00000
0.04296
22
-0.00556
0.00000
0.04296
23
-0.07722
0.00000
0.05200
24
-0.08540
0.00000
0.05998
25
0.07722
0.00000
0.05199
26
0.08540
0.00000
0.05998
27
0.11052
0.00000
-0.02385
28
0.11370
0.00000
-0.02981
29
-0.11052
0.00000
-0.02385
30
-0.11370
0.00000
-0.02980
31
-0.01699
0.00000
0.01433
32
0.01699
0.00000
0.01432
33
-0.02616
0.00000
-0.01323
34
0.02616
0.00000
-0.01324