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)
-0.13400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01110
0.00524
2
0.00000
-0.01109
-0.00524
3
0.00000
-0.03452
0.00094
4
0.00000
0.04513
-0.03745
5
0.00000
0.04513
0.03746
6
0.00000
-0.03452
-0.00094
7
0.00000
-0.02120
-0.00418
8
0.00000
0.02994
-0.07792
9
0.00000
0.02995
0.07792
10
0.00000
-0.02122
0.00418
11
0.00000
0.05145
-0.03145
12
0.00000
-0.04263
-0.05484
13
0.00000
-0.04263
0.05484
14
0.00000
0.05145
0.03145
15
0.00000
-0.02177
-0.01898
16
0.00000
-0.02176
0.01898
17
0.00000
-0.03320
-0.02690
18
0.00000
-0.01566
0.01827
19
0.00000
-0.01566
-0.01828
20
0.00000
-0.03321
0.02691
21
0.00000
-0.03713
-0.01631
22
0.00000
0.04250
-0.02803
23
0.00000
0.04251
0.02803
24
0.00000
-0.03714
0.01631
25
0.00000
0.05028
-0.06137
26
0.00000
0.05028
0.06137
27
0.00000
0.00755
-0.04275
28
0.00000
0.00755
0.04275
29
0.00000
-0.03347
-0.03766
30
0.00000
-0.01502
0.05331
31
0.00000
-0.01502
-0.05333
32
0.00000
-0.03347
0.03768
33
0.00000
-0.05260
-0.02488
34
0.00000
0.10523
0.00652
35
0.00000
0.10525
-0.00653
36
0.00000
-0.05262
0.02489
37
0.00000
-0.04706
-0.07480
38
0.00000
-0.12258
-0.10167
39
0.00000
-0.12259
0.10167
40
0.00000
-0.04706
0.07480
41
0.00000
0.05068
-0.08740
42
0.00000
0.05068
0.08740