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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 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)
0.22700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.01936
2
0.00000
0.00000
0.01778
3
0.00000
0.00000
-0.02000
4
0.00000
0.00000
0.02224
5
0.00000
0.00000
0.03286
6
0.00000
0.00000
0.02707
7
0.00000
0.00000
-0.02278
8
0.00000
0.00000
-0.02902
9
0.00000
0.00000
-0.04917
10
0.00000
0.00000
-0.04447
11
0.00000
0.00000
-0.01315
12
0.00000
0.00000
-0.01585
13
0.00000
0.00000
-0.03167
14
0.00000
0.00000
-0.03786
15
0.00000
0.00000
0.03395
16
0.00000
0.00000
0.02745
17
0.00000
0.00000
0.03239
18
0.00000
0.00000
0.02791
19
0.00000
0.00000
-0.13458
20
0.00000
0.00000
-0.21256
21
0.00000
0.00000
0.26275
22
0.00000
0.00000
0.28660
23
0.00000
0.00000
0.14831
24
0.00000
0.00000
0.37169
25
0.00000
0.00000
0.36586
26
0.00000
0.00000
0.19109
27
0.00000
0.00000
-0.19898
28
0.00000
0.00000
-0.29459
29
0.00000
0.00000
-0.28929
30
0.00000
0.00000
-0.22283