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)
0.00200
Diff mu Y
(Debye)
0.45200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00015
-0.00001
0.00000
2
-0.00002
-0.00009
0.00000
3
0.00005
0.00002
0.00000
4
-0.00007
0.00001
0.00000
5
0.00021
0.00073
0.00000
6
0.00018
0.00124
0.00000
7
-0.00001
-0.00005
0.00000
8
0.00002
-0.00002
0.00000
9
-0.00950
0.00380
0.00000
10
0.01725
-0.00170
0.00000
11
0.00003
0.00002
0.00000
12
0.00002
0.00004
0.00000
13
-0.02764
-0.02312
0.00000
14
0.01956
-0.07336
0.00000
15
-0.00010
0.00000
0.00000
16
0.00019
-0.00010
0.00000
17
0.00022
-0.00074
0.00000
18
-0.00020
-0.00009
0.00000
19
0.00179
-0.00078
0.00000
20
-0.00063
-0.00034
0.00000
21
0.10094
-0.02697
0.00000
22
-0.17119
0.04384
0.00000
23
-0.00016
0.00007
0.00000
24
0.27988
0.26940
0.00000
25
-0.20935
0.81628
0.00000
26
-0.00040
-0.00036
0.00000
27
0.00085
0.00065
0.00000
28
-0.00217
0.00071
0.00000
29
-0.00177
0.00835
0.00000
30
0.00161
0.00130
0.00000