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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.02500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00051
-0.00002
2
0.00000
0.00051
-0.00002
3
0.00000
0.00005
-0.00018
4
0.00000
-0.00011
0.00010
5
0.00000
0.00011
0.00010
6
0.00000
-0.00005
-0.00018
7
0.00000
-0.00024
0.00015
8
0.00000
-0.00024
-0.00015
9
0.00000
0.00024
-0.00015
10
0.00000
0.00024
0.00015
11
0.00000
0.00007
0.00023
12
0.00000
-0.00082
0.00112
13
0.00000
0.00082
0.00112
14
0.00000
-0.00007
0.00023
15
0.00000
-0.00006
0.00184
16
0.00000
0.00006
0.00184
17
0.00000
0.05516
0.00044
18
0.00000
-0.00292
0.00044
19
0.00000
0.00292
0.00045
20
0.00000
-0.05514
0.00044
21
0.00000
-0.00824
0.00976
22
0.00000
0.00565
-0.01036
23
0.00000
-0.00566
-0.01037
24
0.00000
0.00824
0.00975
25
0.00000
0.00455
-0.00011
26
0.00000
-0.00455
-0.00011
27
0.00000
-0.00138
0.00212
28
0.00000
0.00138
0.00211
29
0.00000
-0.63711
-0.00221
30
0.00000
0.03821
-0.00239
31
0.00000
-0.03829
-0.00239
32
0.00000
0.63683
-0.00221
33
0.00000
0.08644
-0.13890
34
0.00000
-0.06635
0.11691
35
0.00000
0.06640
0.11698
36
0.00000
-0.08641
-0.13884
37
0.00000
0.01520
-0.02574
38
0.00000
0.00793
-0.01275
39
0.00000
-0.00792
-0.01274
40
0.00000
-0.01516
-0.02568
41
0.00000
-0.05149
0.00103
42
0.00000
0.05145
0.00103