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)
0.00400
Diff mu Y
(Debye)
0.28700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.13158
0.00023
0.00000
2
0.10243
-0.07382
0.00000
3
-0.04797
-0.05106
0.00000
4
0.04211
-0.04307
0.00000
5
-0.03922
0.01626
0.00000
6
0.01515
-0.01216
0.00000
7
-0.03413
0.00086
0.00000
8
0.01498
0.04345
0.00000
9
-0.02880
0.01516
0.00000
10
0.02229
-0.02500
0.00000
11
0.04343
0.03061
0.00000
12
0.06656
0.07470
0.00000
13
0.02189
0.03466
0.00000
14
0.01064
-0.00271
0.00000
15
-0.07746
-0.00139
0.00000
16
-0.03884
0.00815
0.00000
17
0.02037
-0.04407
0.00000
18
0.04158
0.02318
0.00000
19
-0.13710
-0.01021
0.00000
20
0.09436
-0.12163
0.00000
21
-0.03827
-0.02018
0.00000
22
0.02308
-0.02581
0.00000
23
0.02042
0.05297
0.00000
24
0.03105
0.02623
0.00000
25
-0.03562
-0.01451
0.00000
26
0.07273
0.07265
0.00000
27
-0.08409
0.00393
0.00000
28
-0.01279
0.08756
0.00000
29
0.01796
-0.04477
0.00000
30
0.00737
0.06558
0.00000