Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
1.55200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00636
-0.03766
2
0.00000
-0.00636
-0.03766
3
0.00000
-0.00993
0.00768
4
0.00000
-0.00260
-0.02824
5
0.00000
0.00260
-0.02823
6
0.00000
0.00993
0.00768
7
0.00000
-0.04100
0.02541
8
0.00000
0.00380
0.06240
9
0.00000
-0.00380
0.06240
10
0.00000
0.04100
0.02541
11
0.00000
-0.02189
-0.00945
12
0.00000
0.04598
-0.02573
13
0.00000
-0.04598
-0.02573
14
0.00000
0.02189
-0.00946
15
0.00000
-0.00995
0.00001
16
0.00000
0.00995
0.00002
17
0.00000
0.00413
0.02440
18
0.00000
-0.03344
-0.00802
19
0.00000
0.03344
-0.00802
20
0.00000
-0.00413
0.02440
21
0.00000
0.01548
-0.03745
22
0.00000
0.02502
-0.00687
23
0.00000
-0.02502
-0.00687
24
0.00000
-0.01548
-0.03745
25
0.00000
0.00078
-0.00609
26
0.00000
-0.00078
-0.00610
27
0.00000
0.01597
0.00433
28
0.00000
-0.01597
0.00433
29
0.00000
0.00464
0.27643
30
0.00000
-0.03652
0.03129
31
0.00000
0.03652
0.03129
32
0.00000
-0.00464
0.27644
33
0.00000
-0.05534
-0.08527
34
0.00000
0.01902
-0.01075
35
0.00000
-0.01902
-0.01074
36
0.00000
0.05535
-0.08528
37
0.00000
0.06326
0.03166
38
0.00000
0.41318
0.18457
39
0.00000
-0.41317
0.18456
40
0.00000
-0.06327
0.03167
41
0.00000
-0.00066
-0.00783
42
0.00000
0.00066
-0.00784