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)
0.18100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00077
2
0.00000
0.00000
0.01593
3
0.00000
0.00000
0.00231
4
0.00000
0.00000
-0.02060
5
0.00000
0.00000
0.00857
6
0.00000
0.00000
0.00066
7
0.00000
0.00000
-0.01219
8
0.00000
0.00000
0.05374
9
0.00000
0.00000
-0.02907
10
0.00000
0.00000
-0.02735
11
0.00000
0.00000
-0.00422
12
0.00000
0.00000
-0.03869
13
0.00000
0.00000
0.01955
14
0.00000
0.00000
0.02082
15
0.00000
0.00000
0.07148
16
0.00000
0.00000
-0.07360
17
0.00000
0.00000
-0.04611
18
0.00000
0.00000
0.07337
19
0.00000
0.00000
-0.02259
20
0.00000
0.00000
-0.06803
21
0.00000
0.00000
0.14182
22
0.00000
0.00000
0.14026
23
0.00000
0.00000
-0.25097
24
0.00000
0.00000
-0.09728
25
0.00000
0.00000
-0.11825
26
0.00000
0.00000
0.17189
27
0.00000
0.00000
-0.32920
28
0.00000
0.00000
0.37421
29
0.00000
0.00000
0.31459
30
0.00000
0.00000
-0.42112