Charge: 2
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+2
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)
0.45100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02909
2
0.00000
0.00000
-0.04453
3
0.00000
0.00000
0.00744
4
0.00000
0.00000
0.01402
5
0.00000
0.00000
0.02939
6
0.00000
0.00000
0.03639
7
0.00000
0.00000
0.00251
8
0.00000
0.00000
0.00355
9
0.00000
0.00000
-0.07979
10
0.00000
0.00000
-0.09107
11
0.00000
0.00000
0.01342
12
0.00000
0.00000
-0.02050
13
0.00000
0.00000
0.05848
14
0.00000
0.00000
0.05208
15
0.00000
0.00000
-0.02608
16
0.00000
0.00000
0.02716
17
0.00000
0.00000
0.01412
18
0.00000
0.00000
-0.03012
19
0.00000
0.00000
0.13647
20
0.00000
0.00000
0.20938
21
0.00000
0.00000
0.37435
22
0.00000
0.00000
0.44814
23
0.00000
0.00000
-0.01299
24
0.00000
0.00000
-0.29229
25
0.00000
0.00000
-0.27685
26
0.00000
0.00000
0.10580
27
0.00000
0.00000
0.12429
28
0.00000
0.00000
-0.13800
29
0.00000
0.00000
-0.09042
30
0.00000
0.00000
0.15795