Charge: 2
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+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
0.26800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01649
0.06282
2
0.00000
0.01649
0.06282
3
0.00000
0.00184
0.02709
4
0.00000
0.02720
-0.02474
5
0.00000
-0.02720
-0.02474
6
0.00000
-0.00184
0.02709
7
0.00000
0.02456
-0.10143
8
0.00000
0.02311
-0.04543
9
0.00000
-0.02311
-0.04543
10
0.00000
-0.02456
-0.10143
11
0.00000
0.04535
0.05236
12
0.00000
0.01227
0.02069
13
0.00000
-0.01227
0.02069
14
0.00000
-0.04535
0.05236
15
0.00000
0.00492
-0.06339
16
0.00000
-0.00492
-0.06339
17
0.00000
0.01713
0.01038
18
0.00000
0.00284
-0.00346
19
0.00000
-0.00284
-0.00346
20
0.00000
-0.01713
0.01038
21
0.00000
-0.05136
0.01223
22
0.00000
-0.03351
0.02176
23
0.00000
0.03351
0.02176
24
0.00000
0.05136
0.01223
25
0.00000
0.00983
0.01903
26
0.00000
-0.00983
0.01903
27
0.00000
-0.00668
-0.01740
28
0.00000
0.00668
-0.01740
29
0.00000
0.01551
0.17123
30
0.00000
0.00063
0.14467
31
0.00000
-0.00063
0.14467
32
0.00000
-0.01551
0.17123
33
0.00000
-0.02300
0.02930
34
0.00000
-0.03057
0.02524
35
0.00000
0.03057
0.02524
36
0.00000
0.02300
0.02930
37
0.00000
-0.02358
-0.02920
38
0.00000
0.11872
0.08329
39
0.00000
-0.11872
0.08329
40
0.00000
0.02358
-0.02920
41
0.00000
0.01245
-0.07342
42
0.00000
-0.01245
-0.07342