Charge: 0
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.47700
Diff mu Y
(Debye)
-2.01400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04914
-0.01720
0.00000
2
0.02868
0.01104
0.00000
3
0.02026
0.00897
0.00000
4
-0.01829
-0.02138
0.00000
5
0.06645
0.05712
0.00000
6
-0.02986
0.00084
0.00000
7
-0.01082
-0.00656
0.00000
8
0.01388
0.02699
0.00000
9
-0.03642
-0.01809
0.00000
10
0.03670
-0.02243
0.00000
11
0.02143
-0.01763
0.00000
12
-0.00984
0.00528
0.00000
13
-0.05764
-0.10962
0.00000
14
-0.02505
0.01374
0.00000
15
0.03095
0.11005
0.00000
16
0.04305
-0.00203
0.00000
17
-0.03328
0.01036
0.00000
18
0.07401
-0.05078
0.00000
19
-0.06632
0.02568
0.00000
20
0.00764
-0.06053
0.00000
21
0.00963
-0.03332
0.00000
22
-0.01292
-0.05701
0.00000
23
-0.01574
0.05984
0.00000
24
-0.05187
0.08252
0.00000
25
-0.03030
-0.04606
0.00000
26
0.05674
0.27591
0.00000
27
-0.00459
-0.01449
0.00000
28
-0.05517
-0.02428
0.00000
29
0.08661
0.07038
0.00000
30
-0.10395
0.14225
0.00000
31
-0.02527
0.05644
0.00000
32
0.07090
0.15687
0.00000