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)
-0.00900
Diff mu Y
(Debye)
-0.08400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05548
-0.12248
0.00000
2
0.02547
0.06559
0.00000
3
0.02687
0.10014
0.00000
4
0.02591
-0.02811
0.00000
5
0.03141
0.04561
0.00000
6
-0.03921
-0.05168
0.00000
7
0.01826
-0.01138
0.00000
8
-0.02187
-0.02839
0.00000
9
-0.00501
0.02229
0.00000
10
-0.01686
-0.01091
0.00000
11
-0.01377
-0.01752
0.00000
12
0.00699
0.01341
0.00000
13
-0.00818
-0.02482
0.00000
14
0.04845
0.02439
0.00000
15
-0.01724
-0.03647
0.00000
16
0.03688
0.09306
0.00000
17
-0.03437
-0.04040
0.00000
18
0.00290
0.02259
0.00000
19
0.05194
0.34451
0.00000
20
-0.01542
-0.10985
0.00000
21
-0.02894
-0.06303
0.00000
22
-0.02697
-0.02970
0.00000
23
-0.00634
0.02898
0.00000
24
-0.06123
0.02357
0.00000
25
-0.11926
-0.01662
0.00000
26
-0.00183
0.02528
0.00000
27
0.03545
-0.10941
0.00000
28
-0.06194
-0.19505
0.00000
29
0.03978
-0.03027
0.00000
30
0.06201
-0.04598
0.00000