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)
-0.53900
Diff mu Y
(Debye)
-0.57100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01810
0.02269
0.00000
2
0.04987
0.03403
0.00000
3
0.05243
0.00035
0.00000
4
-0.09882
-0.03710
0.00000
5
0.07767
0.00603
0.00000
6
-0.07920
-0.00396
0.00000
7
-0.05616
-0.04659
0.00000
8
0.03198
0.06436
0.00000
9
-0.02776
-0.05280
0.00000
10
0.00982
-0.00991
0.00000
11
0.00292
0.08458
0.00000
12
0.03467
-0.07665
0.00000
13
-0.01251
0.03659
0.00000
14
0.02043
-0.00671
0.00000
15
0.01041
0.03883
0.00000
16
0.00096
-0.01540
0.00000
17
0.02245
0.01186
0.00000
18
-0.01487
-0.03071
0.00000
19
-0.01341
0.04575
0.00000
20
-0.00579
-0.19816
0.00000
21
0.00215
0.07463
0.00000
22
-0.02322
-0.13299
0.00000
23
0.00191
-0.04125
0.00000
24
0.01923
0.00818
0.00000
25
0.06086
0.00121
0.00000
26
-0.19764
0.17992
0.00000
27
0.18389
-0.17459
0.00000
28
0.02303
0.04168
0.00000
29
-0.09770
-0.01381
0.00000
30
-0.02717
-0.02257
0.00000