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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.04300
Diff mu Y
(Debye)
0.02000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04856
-0.02593
0.00000
2
-0.03948
0.00376
0.00000
3
-0.06197
0.00120
0.00000
4
-0.05788
-0.00167
0.00000
5
-0.02424
-0.03584
0.00000
6
-0.01606
-0.01288
0.00000
7
-0.03551
0.02215
0.00000
8
-0.03992
-0.01984
0.00000
9
0.01462
-0.07972
0.00000
10
0.03588
-0.00229
0.00000
11
-0.00686
0.00199
0.00000
12
-0.01398
-0.01701
0.00000
13
0.06371
-0.07228
0.00000
14
0.07357
-0.03702
0.00000
15
-0.01611
0.08662
0.00000
16
0.03711
0.10238
0.00000
17
0.06575
0.06900
0.00000
18
0.04535
0.01621
0.00000
19
-0.05321
-0.03804
0.00000
20
-0.03338
0.02396
0.00000
21
0.00118
-0.12601
0.00000
22
0.04882
0.04057
0.00000
23
-0.04692
-0.04324
0.00000
24
0.08524
-0.09539
0.00000
25
0.10558
-0.02939
0.00000
26
-0.00187
-0.02888
0.00000
27
-0.04378
0.11695
0.00000
28
0.04843
0.13704
0.00000
29
0.10498
0.07656
0.00000
30
0.07778
-0.02032
0.00000