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)
0.12500
Diff mu Y
(Debye)
0.11600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00080
-0.06466
0.00000
2
-0.04907
-0.03355
0.00000
3
-0.05781
0.04240
0.00000
4
0.10881
-0.00365
0.00000
5
-0.02266
0.02397
0.00000
6
0.04254
0.03005
0.00000
7
-0.05719
-0.03310
0.00000
8
-0.04027
-0.08049
0.00000
9
0.01861
0.00985
0.00000
10
-0.00544
-0.00908
0.00000
11
0.05292
0.01664
0.00000
12
0.00515
0.03940
0.00000
13
-0.02567
0.01694
0.00000
14
0.00263
-0.00968
0.00000
15
0.01756
0.03532
0.00000
16
-0.00104
-0.05092
0.00000
17
-0.00188
-0.01006
0.00000
18
-0.04549
0.04165
0.00000
19
0.08312
0.26045
0.00000
20
0.02207
0.23821
0.00000
21
-0.00174
-0.07027
0.00000
22
0.01033
0.04431
0.00000
23
0.01737
0.09081
0.00000
24
0.09549
-0.10451
0.00000
25
0.02560
-0.00568
0.00000
26
-0.08121
0.13718
0.00000
27
0.11327
-0.07006
0.00000
28
0.06471
0.13228
0.00000
29
0.16025
0.02087
0.00000
30
0.17552
-0.20947
0.00000