Charge: -1
Inchi:1S/C28H14/c1-5-15-13-16-6-3-11-21-22-12-4-8-18-14-17-7-2-10-20-19(9-1)23(15)27(25(16)21)28(24(17)20)26(18)22/h1-14H/q-1
Electronic States
Energy
(eV)
-1074.10796
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
D2h
Symmetry Elements
E
C2(z)
C2(y)
C2(x)
i
sigmah(xy)
sigmah(xz)
sigmah(yz)
Rotational Constants
(cm-1)
0.00789 b
(cm-1)
0.00764 c
(cm-1)
0.00388
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.59400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06889
0.00000
0.00000
2
-0.06889
0.00000
0.00000
3
0.03281
-0.03551
0.00000
4
0.03281
0.03551
0.00000
5
0.03282
0.03551
0.00000
6
0.03282
-0.03551
0.00000
7
-0.00447
0.00622
0.00000
8
-0.00447
-0.00622
0.00000
9
-0.00447
-0.00622
0.00000
10
-0.00447
0.00622
0.00000
11
0.05514
-0.06936
0.00000
12
0.05514
0.06936
0.00000
13
0.05514
0.06936
0.00000
14
0.05514
-0.06936
0.00000
15
-0.01433
0.00000
0.00000
16
-0.01433
0.00000
0.00000
17
-0.03266
0.00894
0.00000
18
-0.03266
-0.00894
0.00000
19
-0.03266
-0.00894
0.00000
20
-0.03266
0.00894
0.00000
21
-0.01191
0.00038
0.00000
22
-0.01191
-0.00038
0.00000
23
-0.01191
-0.00038
0.00000
24
-0.01191
0.00038
0.00000
25
0.00088
0.01097
0.00000
26
0.00088
-0.01097
0.00000
27
0.00088
-0.01097
0.00000
28
0.00087
0.01098
0.00000
29
-0.00867
0.00000
0.00000
30
-0.00867
0.00000
0.00000
31
-0.04110
0.27006
0.00000
32
-0.04110
-0.27005
0.00000
33
-0.04110
-0.27006
0.00000
34
-0.04110
0.27006
0.00000
35
0.05629
0.04218
0.00000
36
0.05629
-0.04218
0.00000
37
0.05629
-0.04218
0.00000
38
0.05629
0.04218
0.00000
39
0.01081
0.00699
0.00000
40
0.01080
-0.00700
0.00000
41
0.01082
-0.00699
0.00000
42
0.01081
0.00699
0.00000