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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.13600
Diff mu Y
(Debye)
0.07800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02142
0.01968
0.00000
2
-0.03449
0.00402
0.00000
3
0.02086
0.04091
0.00000
4
-0.00423
-0.06208
0.00000
5
0.00598
-0.06115
0.00000
6
0.03593
0.05051
0.00000
7
0.04679
0.00970
0.00000
8
-0.01439
-0.00420
0.00000
9
-0.01632
-0.02626
0.00000
10
0.00052
0.03177
0.00000
11
-0.09586
-0.10365
0.00000
12
0.05653
0.01828
0.00000
13
0.02031
0.01138
0.00000
14
0.01055
-0.02148
0.00000
15
-0.02575
0.06352
0.00000
16
-0.01782
-0.06256
0.00000
17
0.07947
0.00059
0.00000
18
-0.04375
0.07033
0.00000
19
-0.02089
0.03974
0.00000
20
-0.03980
0.01397
0.00000
21
0.03355
0.14402
0.00000
22
-0.04723
-0.14697
0.00000
23
0.05398
0.20283
0.00000
24
-0.08066
0.11374
0.00000
25
-0.13048
-0.05697
0.00000
26
0.14151
-0.06751
0.00000
27
0.12071
-0.10173
0.00000
28
0.01883
0.04219
0.00000
29
-0.02448
-0.02198
0.00000
30
-0.05962
0.08507
0.00000