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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.32200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03027
2
0.00000
0.00000
0.00314
3
0.00000
0.00000
0.00667
4
0.00000
0.00000
0.01878
5
0.00000
0.00000
0.00625
6
0.00000
0.00000
-0.01787
7
0.00000
0.00000
-0.03727
8
0.00000
0.00000
-0.05678
9
0.00000
0.00000
-0.04362
10
0.00000
0.00000
0.03844
11
0.00000
0.00000
0.05691
12
0.00000
0.00000
-0.03649
13
0.00000
0.00000
-0.00246
14
0.00000
0.00000
0.00924
15
0.00000
0.00000
0.07279
16
0.00000
0.00000
0.01927
17
0.00000
0.00000
-0.03416
18
0.00000
0.00000
-0.06530
19
0.00000
0.00000
-0.20350
20
0.00000
0.00000
-0.06078
21
0.00000
0.00000
0.23364
22
0.00000
0.00000
-0.17299
23
0.00000
0.00000
0.37632
24
0.00000
0.00000
0.07348
25
0.00000
0.00000
-0.12487
26
0.00000
0.00000
0.23392
27
0.00000
0.00000
-0.40749
28
0.00000
0.00000
-0.12797
29
0.00000
0.00000
0.25772
30
0.00000
0.00000
0.30587