Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.57500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00013
-0.00031
2
0.00000
-0.00013
0.00031
3
0.00000
0.00071
-0.00031
4
0.00000
0.00071
0.00031
5
0.00000
0.00074
-0.00016
6
0.00000
0.00074
0.00016
7
0.00000
-0.00048
0.00095
8
0.00000
-0.00048
-0.00095
9
0.00000
-0.00330
-0.00480
10
0.00000
-0.00330
0.00480
11
0.00000
-0.00527
0.01087
12
0.00000
-0.00527
-0.01087
13
0.00000
-0.00986
-0.02141
14
0.00000
-0.00986
0.02141
15
0.00000
-0.03536
0.00032
16
0.00000
-0.03536
-0.00032
17
0.00000
0.03750
-0.00003
18
0.00000
0.03750
0.00003
19
0.00000
0.00460
-0.01145
20
0.00000
0.00460
0.01145
21
0.00000
0.39667
0.00086
22
0.00000
0.39667
-0.00086
23
0.00000
0.06688
-0.10855
24
0.00000
0.06688
0.10855
25
0.00000
0.12763
0.23347
26
0.00000
0.12763
-0.23347
27
0.00000
0.03519
0.06187
28
0.00000
0.03519
-0.06187
29
0.00000
-0.43222
0.00845
30
0.00000
-0.43222
-0.00845
31
0.00000
-0.06477
0.11550
32
0.00000
-0.06477
-0.11550