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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01902
0.00000
2
0.00000
0.01901
0.00000
3
0.04305
-0.00738
0.00000
4
0.04305
0.00738
0.00000
5
-0.04305
-0.00738
0.00000
6
-0.04305
0.00738
0.00000
7
0.03182
-0.02065
0.00000
8
0.03182
0.02065
0.00000
9
-0.03183
-0.02065
0.00000
10
-0.03183
0.02065
0.00000
11
0.04971
0.04731
0.00000
12
0.04971
-0.04731
0.00000
13
-0.04971
0.04731
0.00000
14
-0.04971
-0.04731
0.00000
15
0.00000
0.08903
0.00000
16
0.00000
-0.08903
0.00000
17
-0.02279
-0.00061
0.00000
18
-0.02279
0.00061
0.00000
19
0.02279
-0.00061
0.00000
20
0.02279
0.00061
0.00000
21
-0.04027
-0.00849
0.00000
22
-0.04027
0.00849
0.00000
23
0.04027
-0.00849
0.00000
24
0.04027
0.00849
0.00000
25
-0.03207
-0.05775
0.00000
26
-0.03207
0.05775
0.00000
27
0.03207
-0.05775
0.00000
28
0.03207
0.05775
0.00000
29
0.00000
0.16853
0.00000
30
0.00000
-0.16853
0.00000
31
-0.02061
-0.07106
0.00000
32
-0.02061
0.07106
0.00000
33
0.02061
-0.07106
0.00000
34
0.02061
0.07106
0.00000
35
-0.00766
0.00936
0.00000
36
-0.00766
-0.00936
0.00000
37
0.00765
0.00936
0.00000
38
0.00765
-0.00936
0.00000
39
-0.04617
-0.05028
0.00000
40
-0.04617
0.05027
0.00000
41
0.04617
-0.05028
0.00000
42
0.04617
0.05028
0.00000