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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.13000
Diff mu Y
(Debye)
-0.26300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00313
-0.00086
0.00000
2
0.00792
-0.00225
0.00000
3
-0.00050
-0.00005
0.00000
4
-0.00004
-0.00009
0.00000
5
-0.00008
0.00006
0.00000
6
-0.00017
-0.00025
0.00000
7
0.00057
0.00034
0.00000
8
0.02237
-0.00699
0.00000
9
0.00384
-0.00108
0.00000
10
-0.00177
0.00046
0.00000
11
-0.00116
0.00118
0.00000
12
-0.01217
-0.01070
0.00000
13
-0.00174
-0.00158
0.00000
14
0.00008
0.00017
0.00000
15
-0.00611
-0.00493
0.00000
16
0.02007
-0.00696
0.00000
17
-0.00630
0.03678
0.00000
18
-0.04563
-0.04062
0.00000
19
-0.03478
0.00919
0.00000
20
-0.09156
0.02572
0.00000
21
-0.04473
0.01243
0.00000
22
0.02043
-0.00541
0.00000
23
-0.26088
0.08059
0.00000
24
0.02014
0.01995
0.00000
25
0.00024
-0.00126
0.00000
26
0.14347
0.13319
0.00000
27
0.07332
0.06281
0.00000
28
-0.24130
0.08010
0.00000
29
0.08952
-0.44279
0.00000
30
0.53705
0.47020
0.00000