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)
-0.48800
Diff mu Y
(Debye)
0.23400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03999
0.03762
0.00000
2
-0.07060
0.06207
0.00000
3
0.08128
-0.09280
0.00000
4
0.01881
-0.01430
0.00000
5
-0.01325
0.03696
0.00000
6
-0.00056
0.00254
0.00000
7
0.02949
-0.09366
0.00000
8
-0.03065
0.01724
0.00000
9
0.05740
-0.01172
0.00000
10
0.08259
-0.02388
0.00000
11
0.01031
0.00480
0.00000
12
-0.01571
-0.02148
0.00000
13
-0.04266
-0.02550
0.00000
14
-0.02601
0.01198
0.00000
15
-0.00156
0.00360
0.00000
16
-0.10871
0.03231
0.00000
17
0.01758
-0.00049
0.00000
18
0.05829
0.04576
0.00000
19
-0.00036
0.19988
0.00000
20
-0.06738
0.09726
0.00000
21
0.06486
0.01030
0.00000
22
0.07820
-0.05976
0.00000
23
-0.02394
0.04852
0.00000
24
-0.08142
0.01175
0.00000
25
-0.07605
-0.00217
0.00000
26
0.02263
-0.06804
0.00000
27
-0.00553
0.00242
0.00000
28
-0.11454
0.03791
0.00000
29
0.07296
0.01468
0.00000
30
0.05886
0.05210
0.00000