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)
0.39600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06053
2
0.00000
0.00000
-0.11594
3
0.00000
0.00000
-0.02602
4
0.00000
0.00000
0.04318
5
0.00000
0.00000
-0.04132
6
0.00000
0.00000
0.05674
7
0.00000
0.00000
0.00946
8
0.00000
0.00000
0.00297
9
0.00000
0.00000
0.05879
10
0.00000
0.00000
-0.02748
11
0.00000
0.00000
0.02103
12
0.00000
0.00000
-0.05037
13
0.00000
0.00000
0.00312
14
0.00000
0.00000
-0.03073
15
0.00000
0.00000
0.00389
16
0.00000
0.00000
-0.00381
17
0.00000
0.00000
-0.01257
18
0.00000
0.00000
-0.00296
19
0.00000
0.00000
-0.24600
20
0.00000
0.00000
0.53639
21
0.00000
0.00000
-0.30855
22
0.00000
0.00000
0.10913
23
0.00000
0.00000
0.01813
24
0.00000
0.00000
-0.06458
25
0.00000
0.00000
0.23268
26
0.00000
0.00000
0.27145
27
0.00000
0.00000
-0.04528
28
0.00000
0.00000
0.03190
29
0.00000
0.00000
0.09071
30
0.00000
0.00000
-0.01283