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)
-0.00600
Diff mu Y
(Debye)
0.16700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03259
-0.06015
0.00000
2
-0.07430
0.02309
0.00000
3
-0.03613
-0.04630
0.00000
4
0.01157
0.02640
0.00000
5
0.02668
-0.01485
0.00000
6
-0.03526
0.00278
0.00000
7
-0.04327
-0.05205
0.00000
8
0.12242
-0.02361
0.00000
9
0.07103
0.03028
0.00000
10
-0.03386
0.01159
0.00000
11
-0.02475
0.00899
0.00000
12
0.04541
-0.02309
0.00000
13
0.02271
0.03490
0.00000
14
-0.00592
-0.01656
0.00000
15
-0.04146
-0.05538
0.00000
16
0.06435
-0.02637
0.00000
17
-0.01992
0.08828
0.00000
18
-0.00464
0.08354
0.00000
19
-0.04583
-0.11371
0.00000
20
-0.08493
-0.01286
0.00000
21
0.08195
0.05959
0.00000
22
-0.02569
0.04524
0.00000
23
0.11384
-0.05856
0.00000
24
-0.03036
0.09070
0.00000
25
-0.01010
-0.01627
0.00000
26
0.01194
0.01672
0.00000
27
-0.09642
0.00682
0.00000
28
0.05705
-0.04295
0.00000
29
-0.13454
0.06627
0.00000
30
0.01922
0.06042
0.00000