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)
-0.04700
Diff mu Y
(Debye)
1.09200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00389
0.01366
0.00000
2
0.00034
-0.01492
0.00000
3
0.00051
0.03842
0.00000
4
-0.03410
-0.04217
0.00000
5
0.01101
0.03893
0.00000
6
0.01042
-0.08352
0.00000
7
0.03442
-0.03805
0.00000
8
0.01225
0.03153
0.00000
9
-0.01228
-0.01246
0.00000
10
-0.01034
0.02875
0.00000
11
0.02266
-0.06906
0.00000
12
0.00225
-0.01856
0.00000
13
-0.01446
0.00777
0.00000
14
-0.00313
0.00357
0.00000
15
-0.00612
-0.02586
0.00000
16
0.00019
0.03907
0.00000
17
-0.01161
-0.00221
0.00000
18
-0.00435
0.03014
0.00000
19
-0.03555
-0.15431
0.00000
20
0.09025
0.33577
0.00000
21
-0.07635
-0.25672
0.00000
22
0.03470
0.20797
0.00000
23
0.08506
0.27277
0.00000
24
-0.11708
0.11293
0.00000
25
0.12302
0.03646
0.00000
26
-0.06862
0.05560
0.00000
27
0.09288
-0.15468
0.00000
28
0.12199
0.39800
0.00000
29
-0.22207
-0.04590
0.00000
30
-0.04674
0.08493
0.00000