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)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02600
Diff mu Y
(Debye)
-0.00900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00158
0.00108
0.00000
2
-0.03558
-0.01594
0.00000
3
0.02691
0.00756
0.00000
4
0.02143
0.00973
0.00000
5
-0.05838
-0.03529
0.00000
6
-0.05301
-0.01981
0.00000
7
0.07260
0.03542
0.00000
8
0.01560
0.04003
0.00000
9
-0.03260
-0.08740
0.00000
10
-0.03149
-0.02155
0.00000
11
0.04810
0.08619
0.00000
12
0.04648
0.06438
0.00000
13
-0.00258
-0.09231
0.00000
14
0.00550
-0.06319
0.00000
15
0.06595
-0.00035
0.00000
16
-0.00527
-0.01747
0.00000
17
-0.05163
0.03346
0.00000
18
-0.02552
0.08996
0.00000
19
0.00574
0.03479
0.00000
20
-0.04443
-0.05354
0.00000
21
-0.04385
-0.12901
0.00000
22
-0.02306
0.00837
0.00000
23
0.01703
0.04117
0.00000
24
0.00932
-0.10546
0.00000
25
0.04333
-0.05405
0.00000
26
0.07167
0.03795
0.00000
27
0.09406
-0.03502
0.00000
28
-0.02483
-0.07411
0.00000
29
-0.10286
0.02308
0.00000
30
-0.06094
0.13321
0.00000