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)
-0.30100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00334
-0.01317
2
0.00000
-0.00334
0.01317
3
0.00000
0.00962
-0.02069
4
0.00000
0.00615
0.01653
5
0.00000
0.00615
-0.01653
6
0.00000
0.00962
0.02069
7
0.00000
0.00370
-0.02547
8
0.00000
0.00945
0.02219
9
0.00000
0.00945
-0.02219
10
0.00000
0.00370
0.02547
11
0.00000
-0.02492
-0.01558
12
0.00000
-0.11140
0.03852
13
0.00000
-0.11140
-0.03852
14
0.00000
-0.02492
0.01558
15
0.00000
-0.01157
0.01800
16
0.00000
-0.01157
-0.01800
17
0.00000
-0.02642
0.05139
18
0.00000
0.07814
0.04373
19
0.00000
0.07814
-0.04373
20
0.00000
-0.02642
-0.05139
21
0.00000
0.00508
0.03822
22
0.00000
0.05846
0.04965
23
0.00000
0.05846
-0.04965
24
0.00000
0.00508
-0.03822
25
0.00000
-0.01104
-0.00495
26
0.00000
-0.01104
0.00495
27
0.00000
0.01530
-0.01503
28
0.00000
0.01530
0.01503
29
0.00000
-0.02702
0.07559
30
0.00000
0.07840
0.10485
31
0.00000
0.07840
-0.10485
32
0.00000
-0.02702
-0.07559
33
0.00000
0.05299
0.06791
34
0.00000
0.06303
0.05254
35
0.00000
0.06303
-0.05254
36
0.00000
0.05299
-0.06791
37
0.00000
0.00767
-0.01922
38
0.00000
-0.13182
0.02830
39
0.00000
-0.13182
-0.02830
40
0.00000
0.00767
0.01922
41
0.00000
-0.00996
0.03768
42
0.00000
-0.00996
-0.03768