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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.20500
Diff mu Y
(Debye)
-0.55600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00493
0.00129
0.00000
2
-0.04735
0.01311
0.00000
3
0.00033
0.00086
0.00000
4
-0.00106
-0.00078
0.00000
5
-0.00036
-0.00157
0.00000
6
-0.00018
0.00139
0.00000
7
0.00034
0.00004
0.00000
8
-0.02192
0.00727
0.00000
9
0.03343
-0.01020
0.00000
10
-0.00823
0.00261
0.00000
11
-0.00025
0.00108
0.00000
12
0.02333
0.02156
0.00000
13
0.00179
0.00379
0.00000
14
0.00596
-0.02619
0.00000
15
-0.00101
-0.00107
0.00000
16
-0.00847
0.00340
0.00000
17
0.00435
-0.01713
0.00000
18
0.00359
0.00330
0.00000
19
0.05707
-0.01453
0.00000
20
0.56608
-0.15644
0.00000
21
-0.39080
0.11279
0.00000
22
0.10704
-0.03322
0.00000
23
0.27010
-0.08364
0.00000
24
-0.02575
-0.02801
0.00000
25
-0.07571
0.30662
0.00000
26
-0.28319
-0.26056
0.00000
27
0.01042
0.00915
0.00000
28
0.10644
-0.03598
0.00000
29
-0.04245
0.19988
0.00000
30
-0.05355
-0.04901
0.00000