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
-0.00007
0.00000
2
0.00000
0.00007
0.00000
3
0.00019
-0.00008
0.00000
4
0.00019
0.00008
0.00000
5
-0.00019
-0.00008
0.00000
6
-0.00019
0.00008
0.00000
7
0.00013
0.00004
0.00000
8
0.00013
-0.00004
0.00000
9
-0.00013
0.00004
0.00000
10
-0.00013
-0.00004
0.00000
11
-0.00004
-0.00066
0.00000
12
-0.00004
0.00066
0.00000
13
0.00004
-0.00066
0.00000
14
0.00004
0.00066
0.00000
15
0.00000
-0.00014
0.00000
16
0.00000
0.00014
0.00000
17
-0.02997
-0.00014
0.00000
18
-0.02997
0.00014
0.00000
19
0.02997
-0.00014
0.00000
20
0.02997
0.00014
0.00000
21
0.01335
-0.02216
0.00000
22
0.01335
0.02216
0.00000
23
-0.01335
-0.02217
0.00000
24
-0.01335
0.02216
0.00000
25
0.00321
0.00705
0.00000
26
0.00321
-0.00705
0.00000
27
-0.00321
0.00705
0.00000
28
-0.00321
-0.00705
0.00000
29
-0.00001
0.00230
0.00000
30
-0.00001
-0.00230
0.00000
31
0.35276
0.00519
0.00000
32
0.35275
-0.00519
0.00000
33
-0.35276
0.00519
0.00000
34
-0.35275
-0.00519
0.00000
35
-0.15337
0.26813
0.00000
36
-0.15336
-0.26812
0.00000
37
0.15337
0.26814
0.00000
38
0.15337
-0.26813
0.00000
39
-0.04339
-0.08314
0.00000
40
-0.04339
0.08314
0.00000
41
0.04339
-0.08315
0.00000
42
0.04339
0.08315
0.00000