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)
-0.11400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04726
0.00000
2
0.00000
-0.04726
0.00000
3
0.01312
0.05938
0.00000
4
-0.01312
0.05938
0.00000
5
-0.01312
0.05938
0.00000
6
0.01312
0.05938
0.00000
7
-0.07678
-0.03803
0.00000
8
0.07678
-0.03803
0.00000
9
0.07678
-0.03803
0.00000
10
-0.07678
-0.03803
0.00000
11
0.03224
0.01428
0.00000
12
-0.03224
0.01427
0.00000
13
-0.03224
0.01427
0.00000
14
0.03224
0.01427
0.00000
15
0.00000
-0.04086
0.00000
16
0.00000
-0.04086
0.00000
17
-0.02331
-0.01980
0.00000
18
0.02331
-0.01980
0.00000
19
0.02331
-0.01980
0.00000
20
-0.02331
-0.01980
0.00000
21
0.02796
-0.00004
0.00000
22
-0.02796
-0.00004
0.00000
23
-0.02796
-0.00004
0.00000
24
0.02796
-0.00004
0.00000
25
-0.02896
0.02156
0.00000
26
0.02896
0.02156
0.00000
27
0.02896
0.02156
0.00000
28
-0.02896
0.02156
0.00000
29
0.00000
0.04490
0.00000
30
0.00000
0.04490
0.00000
31
-0.02697
0.13553
0.00000
32
0.02697
0.13553
0.00000
33
0.02698
0.13555
0.00000
34
-0.02698
0.13555
0.00000
35
0.00873
-0.01106
0.00000
36
-0.00873
-0.01106
0.00000
37
-0.00874
-0.01105
0.00000
38
0.00874
-0.01105
0.00000
39
0.13345
-0.06708
0.00000
40
-0.13345
-0.06708
0.00000
41
-0.13346
-0.06708
0.00000
42
0.13346
-0.06708
0.00000