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)
0.12500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00917
2
0.00000
0.00000
0.01056
3
0.00000
0.00000
0.00203
4
0.00000
0.00000
-0.00323
5
0.00000
0.00000
0.00789
6
0.00000
0.00000
-0.00605
7
0.00000
0.00000
-0.00049
8
0.00000
0.00000
0.00505
9
0.00000
0.00000
-0.05009
10
0.00000
0.00000
0.04645
11
0.00000
0.00000
0.00146
12
0.00000
0.00000
-0.00436
13
0.00000
0.00000
0.10983
14
0.00000
0.00000
-0.10951
15
0.00000
0.00000
-0.00107
16
0.00000
0.00000
0.00183
17
0.00000
0.00000
-0.00026
18
0.00000
0.00000
-0.00128
19
0.00000
0.00000
0.04557
20
0.00000
0.00000
-0.05442
21
0.00000
0.00000
0.20949
22
0.00000
0.00000
-0.20263
23
0.00000
0.00000
-0.02527
24
0.00000
0.00000
-0.52299
25
0.00000
0.00000
0.53029
26
0.00000
0.00000
0.02038
27
0.00000
0.00000
0.00691
28
0.00000
0.00000
-0.00981
29
0.00000
0.00000
0.00139
30
0.00000
0.00000
0.00602