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)
-0.01000
Diff mu Y
(Debye)
-0.07200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00291
0.00235
0.00000
2
-0.03417
-0.01703
0.00000
3
0.02615
0.00891
0.00000
4
0.01943
0.00744
0.00000
5
-0.05693
-0.03100
0.00000
6
-0.05209
-0.01991
0.00000
7
0.07405
0.03987
0.00000
8
0.01565
0.04082
0.00000
9
-0.03240
-0.08678
0.00000
10
-0.03142
-0.02467
0.00000
11
0.04704
0.08835
0.00000
12
0.04671
0.06150
0.00000
13
-0.00330
-0.08953
0.00000
14
0.00482
-0.06394
0.00000
15
0.06886
-0.00122
0.00000
16
-0.00536
-0.01947
0.00000
17
-0.05358
0.03136
0.00000
18
-0.02539
0.08878
0.00000
19
0.00448
0.03425
0.00000
20
-0.04343
-0.05486
0.00000
21
-0.04535
-0.12983
0.00000
22
-0.02266
0.00547
0.00000
23
0.01727
0.04203
0.00000
24
0.00835
-0.10213
0.00000
25
0.04013
-0.05548
0.00000
26
0.07471
0.03369
0.00000
27
0.10026
-0.03676
0.00000
28
-0.02530
-0.08004
0.00000
29
-0.10572
0.02097
0.00000
30
-0.06403
0.13423
0.00000