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)
0.00000
Diff mu Z
(Debye)
-0.12700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04396
0.01586
2
0.00000
0.04396
0.01586
3
0.00000
0.01405
-0.02201
4
0.00000
-0.01405
-0.02201
5
0.00000
-0.00890
0.00282
6
0.00000
0.00890
0.00282
7
0.00000
-0.02305
-0.02889
8
0.00000
0.02305
-0.02889
9
0.00000
-0.04820
0.00684
10
0.00000
0.04820
0.00684
11
0.00000
0.04484
0.05698
12
0.00000
-0.04484
0.05698
13
0.00000
0.05776
-0.01098
14
0.00000
-0.05776
-0.01098
15
0.00000
-0.04354
-0.05692
16
0.00000
0.04354
-0.05692
17
0.00000
-0.01422
0.05796
18
0.00000
0.01422
0.05796
19
0.00000
0.05924
-0.00575
20
0.00000
-0.05924
-0.00575
21
0.00000
-0.05099
0.15157
22
0.00000
0.05099
0.15157
23
0.00000
-0.11308
-0.03984
24
0.00000
0.11308
-0.03984
25
0.00000
-0.16097
0.10936
26
0.00000
0.16097
0.10936
27
0.00000
0.05116
-0.05879
28
0.00000
-0.05116
-0.05879
29
0.00000
-0.01796
-0.24360
30
0.00000
0.01796
-0.24360
31
0.00000
-0.10846
-0.10801
32
0.00000
0.10846
-0.10801