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)
0.00000
Diff mu Z
(Debye)
0.37900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00098
0.05923
2
0.00000
-0.00098
0.05923
3
0.00000
-0.10199
-0.05404
4
0.00000
-0.10376
-0.03113
5
0.00000
0.10376
-0.03113
6
0.00000
0.10199
-0.05404
7
0.00000
0.00883
0.05775
8
0.00000
0.00147
0.02606
9
0.00000
-0.00147
0.02606
10
0.00000
-0.00883
0.05775
11
0.00000
-0.02269
-0.02447
12
0.00000
0.02331
-0.00866
13
0.00000
-0.02331
-0.00866
14
0.00000
0.02269
-0.02447
15
0.00000
0.00993
0.01163
16
0.00000
-0.00993
0.01163
17
0.00000
-0.01744
-0.00864
18
0.00000
-0.01022
-0.01317
19
0.00000
0.01022
-0.01317
20
0.00000
0.01744
-0.00864
21
0.00000
0.02691
-0.00095
22
0.00000
0.03041
0.00649
23
0.00000
-0.03041
0.00649
24
0.00000
-0.02691
-0.00095
25
0.00000
-0.01196
-0.03577
26
0.00000
0.01196
-0.03577
27
0.00000
0.01803
0.02446
28
0.00000
-0.01803
0.02446
29
0.00000
-0.01801
-0.04506
30
0.00000
-0.01058
-0.06162
31
0.00000
0.01058
-0.06162
32
0.00000
0.01801
-0.04506
33
0.00000
0.00405
-0.01309
34
0.00000
-0.03750
-0.02966
35
0.00000
0.03750
-0.02966
36
0.00000
-0.00405
-0.01309
37
0.00000
0.00856
0.02049
38
0.00000
-0.07258
-0.06844
39
0.00000
0.07258
-0.06844
40
0.00000
-0.00856
0.02049
41
0.00000
-0.01256
0.09258
42
0.00000
0.01256
0.09258