Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy
(eV)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.29100
Diff mu Y
(Debye)
-0.00400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00526
-0.00108
0.00000
2
-0.03449
0.00917
0.00000
3
-0.00019
-0.00005
0.00000
4
-0.00011
-0.00103
0.00000
5
-0.00040
-0.00034
0.00000
6
0.00058
0.00175
0.00000
7
-0.00017
0.00010
0.00000
8
-0.01057
0.00221
0.00000
9
0.01753
-0.00492
0.00000
10
0.01871
-0.00607
0.00000
11
-0.00160
0.00162
0.00000
12
0.02319
0.02135
0.00000
13
-0.00403
-0.00375
0.00000
14
-0.00342
0.01087
0.00000
15
-0.00577
-0.00326
0.00000
16
0.02831
-0.01106
0.00000
17
-0.00579
0.02905
0.00000
18
-0.03010
-0.02682
0.00000
19
-0.05676
0.01498
0.00000
20
0.39743
-0.10819
0.00000
21
-0.20150
0.05547
0.00000
22
-0.21858
0.06250
0.00000
23
0.12914
-0.03746
0.00000
24
0.05114
0.04984
0.00000
25
0.03349
-0.12875
0.00000
26
-0.26367
-0.24587
0.00000
27
0.06840
0.05538
0.00000
28
-0.32868
0.11513
0.00000
29
0.07101
-0.34705
0.00000
30
0.35522
0.30264
0.00000