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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.39700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.07040
0.01349
2
0.00000
0.07040
-0.01349
3
0.00000
-0.04289
0.04764
4
0.00000
-0.03657
0.04836
5
0.00000
-0.03657
-0.04836
6
0.00000
-0.04289
-0.04764
7
0.00000
-0.03485
-0.00510
8
0.00000
-0.00702
0.03318
9
0.00000
-0.00702
-0.03318
10
0.00000
-0.03485
0.00510
11
0.00000
0.00555
-0.01232
12
0.00000
0.00435
-0.02385
13
0.00000
0.00435
0.02385
14
0.00000
0.00555
0.01232
15
0.00000
0.05143
0.02842
16
0.00000
0.05143
-0.02842
17
0.00000
-0.03557
-0.00080
18
0.00000
-0.04295
0.02646
19
0.00000
-0.04295
-0.02646
20
0.00000
-0.03557
0.00080
21
0.00000
0.03902
-0.00175
22
0.00000
0.01554
-0.02520
23
0.00000
0.01554
0.02520
24
0.00000
0.03902
0.00175
25
0.00000
-0.01868
-0.03261
26
0.00000
-0.01868
0.03261
27
0.00000
0.00862
0.01996
28
0.00000
0.00862
-0.01996
29
0.00000
-0.03397
-0.06705
30
0.00000
-0.04350
0.19377
31
0.00000
-0.04350
-0.19377
32
0.00000
-0.03397
0.06705
33
0.00000
0.21000
0.09967
34
0.00000
0.09268
0.01884
35
0.00000
0.09268
-0.01884
36
0.00000
0.21000
-0.09967
37
0.00000
0.14773
0.10364
38
0.00000
-0.07090
-0.06810
39
0.00000
-0.07090
0.06810
40
0.00000
0.14773
-0.10364
41
0.00000
-0.02088
-0.12784
42
0.00000
-0.02088
0.12784