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)
-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)
0.01600
Diff mu Y
(Debye)
0.01500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02739
0.02992
0.00000
2
0.03053
0.00857
0.00000
3
-0.01120
-0.00211
0.00000
4
0.01477
-0.00484
0.00000
5
0.12906
-0.03868
0.00000
6
-0.12088
0.03472
0.00000
7
-0.00679
0.00481
0.00000
8
-0.00585
0.00251
0.00000
9
-0.02016
-0.10274
0.00000
10
-0.03785
-0.09337
0.00000
11
-0.00418
-0.00446
0.00000
12
0.00556
-0.00518
0.00000
13
-0.04018
0.08207
0.00000
14
0.07818
0.04742
0.00000
15
0.01110
-0.01253
0.00000
16
-0.00347
0.00051
0.00000
17
-0.00696
0.00281
0.00000
18
0.00634
0.00003
0.00000
19
0.02181
0.22008
0.00000
20
0.07609
0.17432
0.00000
21
0.02278
0.02413
0.00000
22
-0.01062
0.03040
0.00000
23
-0.01213
-0.01882
0.00000
24
0.00240
0.04720
0.00000
25
0.00843
0.03609
0.00000
26
-0.01184
0.01221
0.00000
27
-0.00534
0.00803
0.00000
28
0.00914
0.04076
0.00000
29
0.01933
0.00927
0.00000
30
-0.00840
0.01827
0.00000