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
-0.04968
0.00000
2
0.00000
0.04968
0.00000
3
0.00483
-0.05357
0.00000
4
0.00483
0.05357
0.00000
5
-0.00483
-0.05357
0.00000
6
-0.00483
0.05357
0.00000
7
-0.06338
-0.01945
0.00000
8
-0.06338
0.01945
0.00000
9
0.06338
-0.01945
0.00000
10
0.06338
0.01945
0.00000
11
0.04238
-0.01483
0.00000
12
0.04238
0.01483
0.00000
13
-0.04238
-0.01483
0.00000
14
-0.04238
0.01483
0.00000
15
0.00000
0.00869
0.00000
16
0.00000
-0.00869
0.00000
17
0.07214
0.00270
0.00000
18
0.07214
-0.00270
0.00000
19
-0.07214
0.00270
0.00000
20
-0.07214
-0.00270
0.00000
21
-0.01345
0.05287
0.00000
22
-0.01345
-0.05287
0.00000
23
0.01345
0.05287
0.00000
24
0.01345
-0.05287
0.00000
25
-0.02459
0.01688
0.00000
26
-0.02459
-0.01688
0.00000
27
0.02459
0.01688
0.00000
28
0.02459
-0.01687
0.00000
29
0.00000
0.05498
0.00000
30
0.00000
-0.05498
0.00000
31
0.07283
-0.04103
0.00000
32
0.07283
0.04103
0.00000
33
-0.07282
-0.04103
0.00000
34
-0.07282
0.04103
0.00000
35
-0.05479
0.02853
0.00000
36
-0.05479
-0.02853
0.00000
37
0.05478
0.02853
0.00000
38
0.05478
-0.02853
0.00000
39
0.03836
-0.01642
0.00000
40
0.03836
0.01642
0.00000
41
-0.03836
-0.01642
0.00000
42
-0.03836
0.01642
0.00000