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)
-0.32400
Diff mu Y
(Debye)
-0.85300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00372
-0.01113
0.00000
2
-0.00438
-0.01827
0.00000
3
-0.02542
0.00751
0.00000
4
0.00329
-0.01346
0.00000
5
0.03730
0.01792
0.00000
6
-0.01276
0.01041
0.00000
7
0.00857
0.00939
0.00000
8
0.00728
0.00652
0.00000
9
-0.05757
0.09749
0.00000
10
0.05996
0.04010
0.00000
11
-0.00260
-0.00439
0.00000
12
0.00206
0.00513
0.00000
13
-0.09579
-0.07739
0.00000
14
0.06687
-0.09305
0.00000
15
-0.00256
-0.02594
0.00000
16
-0.03098
-0.00642
0.00000
17
0.01116
0.03957
0.00000
18
0.01571
-0.00459
0.00000
19
-0.02844
-0.11569
0.00000
20
-0.01784
-0.06991
0.00000
21
0.00326
0.37251
0.00000
22
0.12872
0.26993
0.00000
23
0.01328
0.02453
0.00000
24
-0.14718
-0.04343
0.00000
25
0.21932
-0.06596
0.00000
26
-0.01082
0.01993
0.00000
27
0.05028
-0.09483
0.00000
28
-0.04591
-0.04034
0.00000
29
0.04967
0.05124
0.00000
30
0.06626
-0.06275
0.00000