Charge: 1
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+1
Electronic States
Energy
(eV)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.34700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01217
0.00135
2
0.00000
0.01217
-0.00135
3
0.00000
0.01968
-0.03010
4
0.00000
-0.02146
-0.03384
5
0.00000
-0.02146
0.03384
6
0.00000
0.01968
0.03010
7
0.00000
-0.07115
-0.03079
8
0.00000
0.03811
0.00053
9
0.00000
0.03811
-0.00053
10
0.00000
-0.07115
0.03079
11
0.00000
0.01402
0.08683
12
0.00000
-0.00156
0.01629
13
0.00000
-0.00156
-0.01629
14
0.00000
0.01402
-0.08683
15
0.00000
0.00122
-0.04891
16
0.00000
0.00122
0.04891
17
0.00000
-0.00459
-0.01791
18
0.00000
0.00156
0.02051
19
0.00000
0.00156
-0.02051
20
0.00000
-0.00459
0.01791
21
0.00000
0.00966
0.02212
22
0.00000
0.00081
-0.01060
23
0.00000
0.00081
0.01060
24
0.00000
0.00966
-0.02212
25
0.00000
-0.00891
-0.00091
26
0.00000
-0.00891
0.00091
27
0.00000
0.01339
-0.02334
28
0.00000
0.01339
0.02334
29
0.00000
-0.00698
0.24291
30
0.00000
0.00585
-0.24008
31
0.00000
0.00585
0.24008
32
0.00000
-0.00698
-0.24291
33
0.00000
0.15955
0.11013
34
0.00000
-0.13515
-0.08804
35
0.00000
-0.13515
0.08804
36
0.00000
0.15955
-0.11013
37
0.00000
-0.00316
-0.03493
38
0.00000
-0.04894
-0.01237
39
0.00000
-0.04894
0.01237
40
0.00000
-0.00316
0.03493
41
0.00000
-0.00643
-0.18987
42
0.00000
-0.00643
0.18987