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)
-0.25900
Diff mu Y
(Debye)
1.72000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03375
0.02860
0.00000
2
-0.00438
0.03978
0.00000
3
-0.05400
-0.02821
0.00000
4
0.05066
-0.00439
0.00000
5
-0.06077
0.01923
0.00000
6
0.04033
-0.08006
0.00000
7
0.00731
0.01997
0.00000
8
-0.03289
0.00458
0.00000
9
0.03650
-0.02770
0.00000
10
-0.01804
0.06688
0.00000
11
-0.05407
0.02431
0.00000
12
0.07199
-0.05403
0.00000
13
-0.08198
0.06069
0.00000
14
0.07000
-0.03076
0.00000
15
0.02349
-0.04233
0.00000
16
-0.01471
0.04197
0.00000
17
0.06457
-0.01985
0.00000
18
-0.04479
0.01737
0.00000
19
0.00710
-0.09459
0.00000
20
-0.02988
-0.06826
0.00000
21
0.04867
-0.00111
0.00000
22
-0.07367
-0.11653
0.00000
23
-0.02188
0.06067
0.00000
24
0.11913
-0.15104
0.00000
25
-0.09487
-0.08179
0.00000
26
-0.09910
0.14271
0.00000
27
-0.07485
0.07876
0.00000
28
-0.06335
-0.08265
0.00000
29
-0.11267
-0.06480
0.00000
30
0.00279
-0.05068
0.00000