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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00398
0.00000
0.00000
2
0.00398
0.00000
0.00000
3
-0.00836
0.00000
0.00000
4
-0.01073
0.00000
0.00000
5
0.01073
0.00000
0.00000
6
0.00836
0.00000
0.00000
7
-0.01681
0.00000
0.00000
8
-0.04194
0.00000
0.00000
9
0.04194
0.00000
0.00000
10
0.01682
0.00000
0.00000
11
0.01819
0.00000
0.00000
12
-0.02685
0.00000
0.00000
13
0.02686
0.00000
0.00000
14
-0.01819
0.00000
0.00000
15
-0.01586
0.00000
0.00000
16
0.01586
0.00000
0.00000
17
-0.07994
0.00000
0.00000
18
-0.03483
0.00000
0.00000
19
0.03482
0.00000
0.00000
20
0.07994
0.00000
0.00000
21
-0.08192
0.00000
0.00000
22
-0.07197
0.00000
0.00000
23
0.07197
0.00000
0.00000
24
0.08192
0.00000
0.00000
25
0.08658
0.00000
0.00000
26
-0.08658
0.00000
0.00000
27
0.05715
0.00000
0.00000
28
-0.05715
0.00000
0.00000
29
-0.12464
0.00000
0.00000
30
-0.04318
0.00000
0.00000
31
0.04317
0.00000
0.00000
32
0.12463
0.00000
0.00000
33
-0.14136
0.00000
0.00000
34
-0.11173
0.00000
0.00000
35
0.11172
0.00000
0.00000
36
0.14136
0.00000
0.00000
37
0.11247
0.00000
0.00000
38
-0.04929
0.00000
0.00000
39
0.04929
0.00000
0.00000
40
-0.11248
0.00000
0.00000
41
0.16941
0.00000
0.00000
42
-0.16941
0.00000
0.00000