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)
-1073.55865
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)
0.00795 b
(cm-1)
0.00762 c
(cm-1)
0.00389
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
0.04000
0.00000
2
0.00000
-0.04000
0.00000
3
0.02110
-0.03794
0.00000
4
0.02110
0.03794
0.00000
5
-0.02109
-0.03794
0.00000
6
-0.02109
0.03794
0.00000
7
-0.01574
0.02171
0.00000
8
-0.01574
-0.02171
0.00000
9
0.01573
0.02171
0.00000
10
0.01573
-0.02171
0.00000
11
-0.01474
0.07459
0.00000
12
-0.01474
-0.07460
0.00000
13
0.01473
0.07459
0.00000
14
0.01473
-0.07459
0.00000
15
0.00000
-0.08419
0.00000
16
0.00000
0.08419
0.00000
17
0.01462
-0.04372
0.00000
18
0.01462
0.04372
0.00000
19
-0.01462
-0.04372
0.00000
20
-0.01462
0.04372
0.00000
21
-0.03253
0.00929
0.00000
22
-0.03253
-0.00929
0.00000
23
0.03252
0.00929
0.00000
24
0.03252
-0.00929
0.00000
25
0.04038
-0.01789
0.00000
26
0.04038
0.01789
0.00000
27
-0.04037
-0.01789
0.00000
28
-0.04037
0.01789
0.00000
29
0.00000
0.18307
0.00000
30
0.00000
-0.18307
0.00000
31
0.01504
0.10003
0.00000
32
0.01504
-0.10003
0.00000
33
-0.01504
0.10002
0.00000
34
-0.01504
-0.10002
0.00000
35
0.02470
0.04767
0.00000
36
0.02470
-0.04767
0.00000
37
-0.02470
0.04766
0.00000
38
-0.02470
-0.04766
0.00000
39
-0.05718
0.03475
0.00000
40
-0.05718
-0.03475
0.00000
41
0.05717
0.03474
0.00000
42
0.05717
-0.03474
0.00000