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)
0.03300
Diff mu Y
(Debye)
-0.05900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02222
-0.01446
0.00000
2
-0.01431
0.05308
0.00000
3
-0.01401
-0.01240
0.00000
4
0.00776
-0.07246
0.00000
5
-0.03039
0.07257
0.00000
6
0.04803
0.00529
0.00000
7
-0.02662
0.04587
0.00000
8
0.01689
0.05349
0.00000
9
-0.02629
-0.08899
0.00000
10
-0.01643
-0.06889
0.00000
11
0.00411
-0.02489
0.00000
12
-0.01902
0.00306
0.00000
13
0.04726
0.01023
0.00000
14
-0.04160
0.02775
0.00000
15
0.04767
-0.01982
0.00000
16
-0.02615
-0.04922
0.00000
17
-0.02513
0.03078
0.00000
18
0.03387
-0.01877
0.00000
19
0.00734
-0.07549
0.00000
20
-0.06759
-0.12647
0.00000
21
0.08105
0.28841
0.00000
22
0.07124
0.23491
0.00000
23
-0.04923
-0.16249
0.00000
24
-0.05385
0.12525
0.00000
25
0.13804
0.08021
0.00000
26
0.05983
-0.08613
0.00000
27
-0.11930
0.17513
0.00000
28
0.05837
0.20626
0.00000
29
0.07305
0.05749
0.00000
30
-0.05461
0.08993
0.00000