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)
-0.00800
Diff mu Y
(Debye)
-0.66100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01769
0.00866
0.00000
2
-0.00599
0.02003
0.00000
3
0.02429
0.02278
0.00000
4
-0.03289
-0.09913
0.00000
5
0.02226
-0.00270
0.00000
6
0.01274
-0.07524
0.00000
7
0.00426
-0.01920
0.00000
8
0.04345
-0.02576
0.00000
9
-0.01438
0.00418
0.00000
10
-0.00811
0.05153
0.00000
11
-0.02281
0.05669
0.00000
12
0.00228
0.04048
0.00000
13
0.02653
-0.00186
0.00000
14
-0.03697
-0.01515
0.00000
15
-0.00582
0.05427
0.00000
16
-0.01129
-0.05560
0.00000
17
0.03520
0.00247
0.00000
18
-0.01457
-0.01479
0.00000
19
-0.01734
0.02322
0.00000
20
0.08125
0.36767
0.00000
21
-0.02528
-0.03233
0.00000
22
0.04940
0.27326
0.00000
23
0.06113
0.00401
0.00000
24
0.08488
-0.05777
0.00000
25
-0.14452
-0.04249
0.00000
26
-0.07303
0.13135
0.00000
27
-0.13026
0.21416
0.00000
28
-0.10113
-0.32197
0.00000
29
0.22051
0.04073
0.00000
30
-0.01137
-0.02445
0.00000