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)
0.04000
Diff mu Y
(Debye)
0.25500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00920
0.01130
0.00000
2
0.00716
0.00531
0.00000
3
-0.01760
-0.00982
0.00000
4
-0.02067
-0.03310
0.00000
5
-0.03402
-0.04402
0.00000
6
0.00746
-0.06062
0.00000
7
-0.03392
0.00752
0.00000
8
0.01792
0.01136
0.00000
9
0.01924
0.00691
0.00000
10
-0.00434
0.02779
0.00000
11
0.01024
0.02762
0.00000
12
0.00135
-0.00573
0.00000
13
-0.00040
0.00742
0.00000
14
-0.00381
0.00359
0.00000
15
0.00056
0.01009
0.00000
16
-0.00174
-0.03422
0.00000
17
0.02371
0.00374
0.00000
18
-0.00122
-0.00395
0.00000
19
0.06049
0.21560
0.00000
20
0.07833
0.26612
0.00000
21
0.00564
-0.05123
0.00000
22
0.00888
0.08429
0.00000
23
0.07667
0.19135
0.00000
24
-0.16336
0.17258
0.00000
25
0.14484
0.04102
0.00000
26
0.05665
-0.06219
0.00000
27
-0.16272
0.20191
0.00000
28
-0.14725
-0.47863
0.00000
29
0.42807
0.08645
0.00000
30
-0.13756
0.15203
0.00000