Charge: 1
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/q+1
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02900
Diff mu Y
(Debye)
-0.06400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.10234
-0.06745
0.00000
2
0.09835
-0.05899
0.00000
3
0.02330
-0.01568
0.00000
4
0.02856
0.00197
0.00000
5
0.04194
0.03966
0.00000
6
0.03976
0.01164
0.00000
7
-0.04368
-0.01625
0.00000
8
-0.05600
0.00395
0.00000
9
-0.05578
-0.00192
0.00000
10
-0.06557
-0.03851
0.00000
11
0.00379
-0.00474
0.00000
12
-0.10006
0.05488
0.00000
13
-0.06077
0.07548
0.00000
14
0.03591
0.01423
0.00000
15
-0.00141
0.02855
0.00000
16
0.01009
-0.01031
0.00000
17
0.00441
0.00388
0.00000
18
-0.01916
0.00577
0.00000
19
0.00453
-0.02910
0.00000
20
0.02077
-0.01283
0.00000
21
-0.00624
-0.06432
0.00000
22
-0.04219
0.05906
0.00000
23
-0.03781
0.06923
0.00000
24
0.00668
-0.12411
0.00000
25
-0.10243
0.06208
0.00000
26
-0.05972
0.08887
0.00000
27
0.00855
0.04724
0.00000
28
0.14168
0.02005
0.00000
29
-0.02260
-0.03783
0.00000
30
-0.05770
0.04411
0.00000
31
0.01048
0.02328
0.00000
32
0.02669
0.00022
0.00000