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)
-0.11000
Diff mu Y
(Debye)
0.83400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01399
0.00343
0.00000
2
-0.00638
-0.00414
0.00000
3
0.00898
-0.00441
0.00000
4
0.00265
0.00732
0.00000
5
-0.02240
-0.04300
0.00000
6
0.02864
-0.02901
0.00000
7
-0.01484
0.01122
0.00000
8
0.00205
-0.00197
0.00000
9
0.00726
-0.02050
0.00000
10
-0.02042
0.00189
0.00000
11
0.00723
0.02099
0.00000
12
-0.00411
-0.00017
0.00000
13
-0.04119
0.04598
0.00000
14
0.05529
0.00151
0.00000
15
-0.00076
0.01710
0.00000
16
-0.00184
-0.02435
0.00000
17
0.00533
0.00562
0.00000
18
0.00374
-0.01345
0.00000
19
0.01504
0.13400
0.00000
20
0.00895
0.05620
0.00000
21
-0.02654
-0.16629
0.00000
22
-0.06620
-0.15418
0.00000
23
0.01277
0.03356
0.00000
24
-0.41217
0.42590
0.00000
25
0.53590
0.12347
0.00000
26
0.02978
-0.03755
0.00000
27
-0.07851
0.11711
0.00000
28
-0.07122
-0.22763
0.00000
29
0.09923
0.02569
0.00000
30
0.00979
-0.02163
0.00000