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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.21500
Diff mu Y
(Debye)
0.09100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02655
-0.01924
0.00000
2
0.00448
0.00502
0.00000
3
0.03001
-0.00418
0.00000
4
-0.00171
0.00609
0.00000
5
-0.03772
-0.06198
0.00000
6
0.00110
-0.00053
0.00000
7
0.07904
0.06128
0.00000
8
-0.01977
-0.00782
0.00000
9
0.02059
0.00790
0.00000
10
-0.00791
0.00370
0.00000
11
0.10407
-0.06389
0.00000
12
-0.04199
-0.00431
0.00000
13
0.01373
0.00577
0.00000
14
0.00281
-0.00321
0.00000
15
-0.06982
0.01768
0.00000
16
0.01071
-0.03638
0.00000
17
-0.00470
0.03827
0.00000
18
0.00043
-0.00920
0.00000
19
0.02571
0.19879
0.00000
20
0.01093
0.02753
0.00000
21
0.09651
0.26337
0.00000
22
-0.02076
-0.04032
0.00000
23
-0.05082
-0.09508
0.00000
24
0.02221
0.00003
0.00000
25
0.00993
-0.00072
0.00000
26
-0.35901
0.31760
0.00000
27
-0.19300
0.15956
0.00000
28
-0.00046
-0.06580
0.00000
29
-0.20825
-0.00109
0.00000
30
-0.00940
0.01044
0.00000