Charge: -1
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-1
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)
-0.04600
Diff mu Y
(Debye)
-0.28500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05295
0.02967
0.00000
2
-0.04752
0.04027
0.00000
3
-0.00757
-0.00204
0.00000
4
-0.01457
0.01497
0.00000
5
-0.07628
0.03332
0.00000
6
-0.07052
0.07252
0.00000
7
0.02891
-0.02435
0.00000
8
0.01798
-0.01620
0.00000
9
-0.03632
-0.01161
0.00000
10
0.00344
0.11464
0.00000
11
0.04046
-0.03166
0.00000
12
0.04634
-0.02061
0.00000
13
0.04256
0.00418
0.00000
14
0.05622
0.06601
0.00000
15
0.02124
-0.06001
0.00000
16
0.00728
-0.07710
0.00000
17
0.00999
-0.07596
0.00000
18
0.01854
-0.04616
0.00000
19
-0.04340
0.06570
0.00000
20
-0.05872
0.00046
0.00000
21
-0.05131
-0.07004
0.00000
22
0.02064
0.17898
0.00000
23
0.00634
-0.05549
0.00000
24
0.08239
-0.03621
0.00000
25
0.10762
0.07957
0.00000
26
0.04547
-0.02027
0.00000
27
0.03677
-0.07739
0.00000
28
0.00762
-0.07764
0.00000
29
-0.00281
-0.07892
0.00000
30
0.00130
-0.02634
0.00000