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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-1.83800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00318
0.01128
2
0.00000
-0.00318
-0.01128
3
0.00000
0.02857
0.00944
4
0.00000
0.02857
-0.00944
5
0.00000
-0.03930
0.02894
6
0.00000
-0.03930
-0.02894
7
0.00000
-0.01554
-0.05549
8
0.00000
-0.01554
0.05549
9
0.00000
0.00327
-0.01521
10
0.00000
0.00327
0.01521
11
0.00000
-0.03930
-0.06448
12
0.00000
-0.03930
0.06448
13
0.00000
0.02940
-0.03560
14
0.00000
0.02940
0.03560
15
0.00000
0.01710
0.07539
16
0.00000
0.01710
-0.07539
17
0.00000
0.01901
0.01927
18
0.00000
0.01901
-0.01927
19
0.00000
-0.00508
-0.00073
20
0.00000
-0.00508
0.00073
21
0.00000
0.01834
0.37248
22
0.00000
0.01834
-0.37247
23
0.00000
-0.17345
-0.15090
24
0.00000
-0.17345
0.15090
25
0.00000
0.13909
-0.09916
26
0.00000
0.13909
0.09916
27
0.00000
0.09363
-0.06996
28
0.00000
0.09362
0.06996
29
0.00000
0.01873
0.05147
30
0.00000
0.01873
-0.05147
31
0.00000
-0.03608
-0.01977
32
0.00000
-0.03609
0.01977