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
-0.01255
0.00000
0.00000
2
0.01255
0.00000
0.00000
3
-0.04090
-0.03028
0.00000
4
0.04090
-0.03028
0.00000
5
-0.04091
0.03028
0.00000
6
0.04091
0.03028
0.00000
7
-0.00677
-0.05917
0.00000
8
0.00677
-0.05917
0.00000
9
-0.00677
0.05918
0.00000
10
0.00677
0.05918
0.00000
11
-0.05730
-0.01740
0.00000
12
0.05730
-0.01740
0.00000
13
-0.05730
0.01740
0.00000
14
0.05730
0.01740
0.00000
15
-0.08002
0.00000
0.00000
16
0.08002
0.00000
0.00000
17
-0.04135
-0.01245
0.00000
18
0.04135
-0.01245
0.00000
19
-0.04135
0.01245
0.00000
20
0.04135
0.01245
0.00000
21
-0.00339
-0.03617
0.00000
22
0.00339
-0.03617
0.00000
23
-0.00339
0.03616
0.00000
24
0.00339
0.03617
0.00000
25
-0.00161
-0.06145
0.00000
26
0.00161
-0.06145
0.00000
27
-0.00161
0.06145
0.00000
28
0.00161
0.06145
0.00000
29
-0.08009
0.00000
0.00000
30
0.08009
0.00000
0.00000
31
-0.04179
0.01217
0.00000
32
0.04179
0.01216
0.00000
33
-0.04179
-0.01217
0.00000
34
0.04179
-0.01217
0.00000
35
0.02543
-0.01952
0.00000
36
-0.02543
-0.01952
0.00000
37
0.02544
0.01952
0.00000
38
-0.02543
0.01952
0.00000
39
0.00367
-0.06456
0.00000
40
-0.00367
-0.06456
0.00000
41
0.00367
0.06456
0.00000
42
-0.00367
0.06456
0.00000