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)
-0.07900
Diff mu Y
(Debye)
0.09400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00399
0.01546
0.00000
2
-0.01671
-0.02803
0.00000
3
0.00625
-0.00127
0.00000
4
0.02944
-0.03992
0.00000
5
0.00497
0.07034
0.00000
6
-0.05410
-0.01448
0.00000
7
-0.01735
0.00751
0.00000
8
-0.02059
0.01001
0.00000
9
0.11754
-0.05843
0.00000
10
-0.02732
-0.08651
0.00000
11
0.01569
-0.01354
0.00000
12
0.08461
-0.04014
0.00000
13
-0.07116
0.08647
0.00000
14
-0.03609
0.04064
0.00000
15
0.01593
-0.00105
0.00000
16
-0.03080
0.09575
0.00000
17
0.00557
-0.00192
0.00000
18
-0.01693
-0.00535
0.00000
19
-0.00968
-0.00764
0.00000
20
0.02711
-0.02576
0.00000
21
-0.01317
0.00188
0.00000
22
-0.00676
0.05114
0.00000
23
0.11177
-0.07404
0.00000
24
-0.07488
-0.03330
0.00000
25
0.05524
-0.12834
0.00001
26
-0.05568
0.13655
0.00000
27
0.01022
-0.00900
0.00001
28
-0.12462
0.07682
0.00001
29
-0.03382
-0.01458
0.00000
30
-0.02358
0.00110
0.00000
31
0.01181
0.02174
0.00000
32
0.01998
-0.05529
0.00000