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)
0.08800
Diff mu Y
(Debye)
-0.04000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03489
0.00775
0.00000
2
0.00273
-0.00042
0.00000
3
0.00081
0.00110
0.00000
4
-0.00031
-0.00088
0.00000
5
0.00015
-0.00058
0.00000
6
0.00017
-0.00032
0.00000
7
-0.00069
0.00058
0.00000
8
0.02288
-0.00688
0.00000
9
-0.00925
0.00204
0.00000
10
0.00182
-0.00036
0.00000
11
-0.00118
0.00183
0.00000
12
0.00989
0.00956
0.00000
13
0.00394
0.00352
0.00000
14
-0.00003
-0.00089
0.00000
15
0.01483
0.01121
0.00000
16
-0.00914
0.00235
0.00000
17
-0.00076
0.01715
0.00000
18
-0.04941
-0.04085
0.00000
19
0.39629
-0.09631
0.00000
20
-0.03003
0.00815
0.00000
21
0.10545
-0.02522
0.00000
22
-0.02064
0.00577
0.00000
23
-0.25613
0.07527
0.00000
24
-0.04342
-0.04176
0.00000
25
-0.00212
0.00933
0.00000
26
-0.11102
-0.10350
0.00000
27
-0.16632
-0.13048
0.00000
28
0.10586
-0.03567
0.00000
29
0.04108
-0.20421
0.00000
30
0.55796
0.46828
0.00000