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)
0.21100
Diff mu Y
(Debye)
1.87800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03033
0.04296
0.00000
2
0.02874
-0.02334
0.00000
3
-0.00773
-0.00471
0.00000
4
-0.01545
0.05979
0.00000
5
-0.00372
-0.13302
0.00000
6
0.00225
-0.05283
0.00000
7
0.00733
0.01155
0.00000
8
-0.00850
0.02129
0.00000
9
0.02513
-0.02567
0.00000
10
-0.03679
0.01462
0.00000
11
0.02190
-0.04388
0.00000
12
-0.00588
-0.02753
0.00000
13
0.00590
0.03389
0.00000
14
0.01076
0.00413
0.00000
15
0.00090
-0.03047
0.00000
16
-0.00276
0.01017
0.00000
17
-0.00176
0.01004
0.00000
18
0.00311
0.01331
0.00000
19
0.06948
0.47639
0.00000
20
0.05289
0.04505
0.00000
21
0.13004
0.35663
0.00000
22
0.03985
0.31699
0.00000
23
-0.02380
-0.01762
0.00000
24
0.01859
0.02711
0.00000
25
-0.08908
-0.01876
0.00000
26
-0.07744
0.04590
0.00000
27
0.00666
-0.03856
0.00000
28
0.01569
0.06910
0.00000
29
0.04100
0.02085
0.00000
30
-0.10172
0.14225
0.00000