Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
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)
-0.12000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06495
0.00892
2
0.00000
-0.06495
0.00892
3
0.00000
0.03724
-0.06088
4
0.00000
-0.02082
0.04170
5
0.00000
0.02082
0.04170
6
0.00000
-0.03724
-0.06087
7
0.00000
-0.00223
-0.00910
8
0.00000
0.00725
0.00910
9
0.00000
-0.00726
0.00910
10
0.00000
0.00223
-0.00910
11
0.00000
-0.00664
0.03697
12
0.00000
-0.00339
-0.01286
13
0.00000
0.00339
-0.01286
14
0.00000
0.00664
0.03697
15
0.00000
-0.00110
0.02755
16
0.00000
0.00110
0.02755
17
0.00000
0.01222
0.01487
18
0.00000
0.00750
-0.00788
19
0.00000
-0.00750
-0.00788
20
0.00000
-0.01222
0.01487
21
0.00000
-0.02626
-0.01852
22
0.00000
0.00960
-0.00528
23
0.00000
-0.00960
-0.00528
24
0.00000
0.02626
-0.01852
25
0.00000
0.01723
0.01463
26
0.00000
-0.01723
0.01463
27
0.00000
0.00635
-0.02059
28
0.00000
-0.00635
-0.02059
29
0.00000
0.01320
0.28132
30
0.00000
0.00939
-0.19854
31
0.00000
-0.00939
-0.19854
32
0.00000
-0.01320
0.28129
33
0.00000
-0.28820
-0.17583
34
0.00000
0.08152
0.03457
35
0.00000
-0.08151
0.03457
36
0.00000
0.28820
-0.17583
37
0.00000
-0.14292
-0.11152
38
0.00000
-0.12197
-0.08346
39
0.00000
0.12199
-0.08348
40
0.00000
0.14292
-0.11152
41
0.00000
0.01821
0.03168
42
0.00000
-0.01821
0.03167