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)
-1.31300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02654
0.00953
2
0.00000
0.02654
0.00953
3
0.00000
-0.01539
0.03847
4
0.00000
0.01156
-0.03000
5
0.00000
-0.01155
-0.02999
6
0.00000
0.01539
0.03847
7
0.00000
-0.01636
0.01440
8
0.00000
0.00911
-0.03758
9
0.00000
-0.00911
-0.03758
10
0.00000
0.01636
0.01440
11
0.00000
-0.00651
-0.03838
12
0.00000
-0.00901
0.02949
13
0.00000
0.00901
0.02948
14
0.00000
0.00651
-0.03837
15
0.00000
-0.03366
0.00379
16
0.00000
0.03366
0.00380
17
0.00000
0.03841
0.00980
18
0.00000
-0.01893
0.00029
19
0.00000
0.01893
0.00029
20
0.00000
-0.03841
0.00980
21
0.00000
0.01082
-0.02583
22
0.00000
-0.01683
0.02122
23
0.00000
0.01683
0.02122
24
0.00000
-0.01082
-0.02583
25
0.00000
-0.06398
-0.05503
26
0.00000
0.06399
-0.05503
27
0.00000
-0.06388
0.07835
28
0.00000
0.06388
0.07835
29
0.00000
0.04162
0.11209
30
0.00000
-0.02113
-0.09352
31
0.00000
0.02113
-0.09351
32
0.00000
-0.04162
0.11208
33
0.00000
-0.08737
-0.09270
34
0.00000
0.05190
0.06396
35
0.00000
-0.05190
0.06395
36
0.00000
0.08737
-0.09270
37
0.00000
-0.15612
0.03675
38
0.00000
-0.08845
-0.01421
39
0.00000
0.08846
-0.01422
40
0.00000
0.15612
0.03675
41
0.00000
-0.07351
-0.23290
42
0.00000
0.07352
-0.23290