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)
0.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02869
0.00000
2
0.00000
0.02869
0.00000
3
0.01986
-0.01867
0.00000
4
-0.01986
-0.01866
0.00000
5
-0.01986
-0.01867
0.00000
6
0.01986
-0.01866
0.00000
7
0.00621
-0.01623
0.00000
8
-0.00621
-0.01623
0.00000
9
-0.00621
-0.01623
0.00000
10
0.00621
-0.01623
0.00000
11
-0.00454
0.04999
0.00000
12
0.00454
0.04999
0.00000
13
0.00454
0.04999
0.00000
14
-0.00454
0.04999
0.00000
15
0.00000
-0.09825
0.00000
16
0.00000
-0.09825
0.00000
17
0.02807
0.04230
0.00000
18
-0.02807
0.04230
0.00000
19
-0.02807
0.04230
0.00000
20
0.02807
0.04230
0.00000
21
-0.04793
-0.05512
0.00000
22
0.04793
-0.05512
0.00000
23
0.04793
-0.05512
0.00000
24
-0.04793
-0.05512
0.00000
25
0.00009
0.02751
0.00000
26
-0.00009
0.02751
0.00000
27
-0.00009
0.02751
0.00000
28
0.00009
0.02751
0.00000
29
0.00000
0.17134
0.00000
30
0.00000
0.17133
0.00000
31
0.03621
-0.03614
0.00000
32
-0.03621
-0.03614
0.00000
33
-0.03621
-0.03614
0.00000
34
0.03621
-0.03614
0.00000
35
0.11232
0.02989
0.00000
36
-0.11231
0.02989
0.00000
37
-0.11232
0.02989
0.00000
38
0.11232
0.02989
0.00000
39
0.09394
-0.02000
0.00000
40
-0.09393
-0.02000
0.00000
41
-0.09394
-0.02000
0.00000
42
0.09393
-0.02000
0.00000