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)
-0.02300
Diff mu Y
(Debye)
0.78800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02731
-0.06421
0.00000
2
-0.08387
0.02042
0.00000
3
-0.02895
-0.05258
0.00000
4
0.01383
0.02190
0.00000
5
0.03024
0.00358
0.00000
6
-0.04769
-0.00156
0.00000
7
-0.04723
-0.06955
0.00000
8
0.10300
-0.01903
0.00000
9
0.07532
0.03495
0.00000
10
-0.04092
0.00632
0.00000
11
0.00295
-0.00435
0.00000
12
0.05460
-0.00270
0.00000
13
0.03644
0.05138
0.00000
14
-0.00094
-0.03410
0.00000
15
-0.04607
-0.04535
0.00000
16
0.05001
-0.01646
0.00000
17
-0.01881
0.08595
0.00000
18
-0.01143
0.07365
0.00000
19
-0.03832
-0.11101
0.00000
20
-0.09749
-0.02177
0.00000
21
0.08198
0.04724
0.00000
22
-0.02816
0.05869
0.00000
23
0.09536
-0.05992
0.00000
24
-0.02406
0.11743
0.00000
25
-0.01980
-0.03863
0.00000
26
0.03180
0.02697
0.00000
27
-0.10221
0.02188
0.00000
28
0.04442
-0.03111
0.00000
29
-0.10502
0.07085
0.00000
30
0.00486
0.05920
0.00000