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)
-0.07400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00003
0.00000
2
0.00000
0.00003
0.00000
3
-0.00008
0.00034
0.00000
4
0.00008
0.00034
0.00000
5
0.00008
0.00034
0.00000
6
-0.00008
0.00034
0.00000
7
-0.00073
0.00069
0.00000
8
0.00073
0.00069
0.00000
9
0.00073
0.00068
0.00000
10
-0.00073
0.00068
0.00000
11
0.00001
0.00040
0.00000
12
-0.00001
0.00040
0.00000
13
-0.00001
0.00040
0.00000
14
0.00001
0.00040
0.00000
15
0.00000
-0.00016
0.00000
16
0.00000
-0.00016
0.00000
17
0.00399
0.00078
0.00000
18
-0.00399
0.00078
0.00000
19
-0.00399
0.00078
0.00000
20
0.00399
0.00078
0.00000
21
0.00963
-0.01446
0.00000
22
-0.00963
-0.01446
0.00000
23
-0.00962
-0.01444
0.00000
24
0.00962
-0.01444
0.00000
25
-0.01823
-0.03336
0.00000
26
0.01823
-0.03336
0.00000
27
0.01822
-0.03333
0.00000
28
-0.01822
-0.03333
0.00000
29
0.00000
-0.00027
0.00000
30
0.00000
-0.00027
0.00000
31
-0.03962
-0.00150
0.00000
32
0.03962
-0.00150
0.00000
33
0.03959
-0.00150
0.00000
34
-0.03959
-0.00150
0.00000
35
-0.09470
0.16079
0.00000
36
0.09470
0.16079
0.00000
37
0.09463
0.16066
0.00000
38
-0.09462
0.16066
0.00000
39
0.20699
0.38472
0.00000
40
-0.20699
0.38473
0.00000
41
-0.20682
0.38440
0.00000
42
0.20682
0.38440
0.00000