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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.10900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00326
2
0.00000
0.00000
-0.07712
3
0.00000
0.00000
-0.04076
4
0.00000
0.00000
-0.05225
5
0.00000
0.00000
0.00738
6
0.00000
0.00000
-0.04586
7
0.00000
0.00000
-0.03368
8
0.00000
0.00000
-0.00813
9
0.00000
0.00000
0.07565
10
0.00000
0.00000
-0.04199
11
0.00000
0.00000
0.05546
12
0.00000
0.00000
0.06413
13
0.00000
0.00000
0.08832
14
0.00000
0.00000
0.02627
15
0.00000
0.00000
-0.11138
16
0.00000
0.00000
-0.07252
17
0.00000
0.00000
0.04758
18
0.00000
0.00000
0.10794
19
0.00000
0.00000
0.03750
20
0.00000
0.00000
-0.11009
21
0.00000
0.00000
0.12077
22
0.00000
0.00000
-0.08698
23
0.00000
0.00000
-0.01461
24
0.00000
0.00000
0.14568
25
0.00000
0.00000
0.03336
26
0.00000
0.00000
0.11952
27
0.00000
0.00000
-0.21075
28
0.00000
0.00000
-0.13523
29
0.00000
0.00000
0.08293
30
0.00000
0.00000
0.18728