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)
0.00000
Diff mu Z
(Debye)
1.38900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01402
-0.07423
2
0.00000
0.01402
-0.07423
3
0.00000
-0.03925
-0.06419
4
0.00000
0.03925
-0.06419
5
0.00000
-0.02791
-0.01368
6
0.00000
0.02791
-0.01368
7
0.00000
-0.04607
-0.04553
8
0.00000
0.04607
-0.04553
9
0.00000
0.02533
0.08058
10
0.00000
-0.02533
0.08058
11
0.00000
-0.03584
0.05222
12
0.00000
0.03584
0.05222
13
0.00000
0.02340
-0.01507
14
0.00000
-0.02340
-0.01507
15
0.00000
0.07647
0.00624
16
0.00000
-0.07647
0.00624
17
0.00000
-0.04627
0.02606
18
0.00000
0.04627
0.02606
19
0.00000
-0.01649
0.03387
20
0.00000
0.01649
0.03387
21
0.00000
0.07981
-0.06129
22
0.00000
-0.07981
-0.06129
23
0.00000
-0.04746
0.04498
24
0.00000
0.04746
0.04498
25
0.00000
-0.02388
0.01252
26
0.00000
0.02388
0.01252
27
0.00000
0.09700
0.04585
28
0.00000
-0.09699
0.04585
29
0.00000
-0.04854
0.07562
30
0.00000
0.04854
0.07562
31
0.00000
-0.00236
0.04579
32
0.00000
0.00236
0.04579