Charge: 2
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+2
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)
0.08800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00130
0.00000
0.00000
2
0.00130
0.00000
0.00000
3
-0.00295
0.00000
0.00000
4
0.00039
0.00000
0.00000
5
0.00039
0.00000
0.00000
6
-0.00295
0.00000
0.00000
7
-0.00397
0.00000
0.00000
8
0.00872
0.00000
0.00000
9
0.00872
0.00000
0.00000
10
-0.00397
0.00000
0.00000
11
-0.00524
0.00000
0.00000
12
-0.00608
0.00000
0.00000
13
-0.00608
0.00000
0.00000
14
-0.00524
0.00000
0.00000
15
0.00698
0.00000
0.00000
16
0.00698
0.00000
0.00000
17
-0.05807
0.00000
0.00000
18
0.02459
0.00000
0.00000
19
0.02458
0.00000
0.00000
20
-0.05807
0.00000
0.00000
21
0.05756
0.00000
0.00000
22
-0.03573
0.00000
0.00000
23
-0.03573
0.00000
0.00000
24
0.05756
0.00000
0.00000
25
0.03710
0.00000
0.00000
26
0.03710
0.00000
0.00000
27
-0.02726
0.00000
0.00000
28
-0.02726
0.00000
0.00000
29
0.34061
0.00000
0.00000
30
-0.15877
0.00000
0.00000
31
-0.15877
0.00000
0.00000
32
0.34062
0.00000
0.00000
33
-0.33185
0.00000
0.00000
34
0.20965
0.00000
0.00000
35
0.20965
0.00000
0.00000
36
-0.33185
0.00000
0.00000
37
0.15694
0.00000
0.00000
38
0.02838
0.00000
0.00000
39
0.02838
0.00000
0.00000
40
0.15694
0.00000
0.00000
41
-0.21348
0.00000
0.00000
42
-0.21348
0.00000
0.00000