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)
-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)
0.17300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00807
0.00912
2
0.00000
-0.00807
-0.00912
3
0.00000
0.07744
-0.02346
4
0.00000
-0.09106
-0.00168
5
0.00000
-0.09106
0.00168
6
0.00000
0.07744
0.02346
7
0.00000
-0.01905
-0.03839
8
0.00000
0.01054
-0.00024
9
0.00000
0.01054
0.00024
10
0.00000
-0.01905
0.03839
11
0.00000
-0.00789
-0.02726
12
0.00000
-0.00714
0.01368
13
0.00000
-0.00714
-0.01368
14
0.00000
-0.00789
0.02726
15
0.00000
0.00345
-0.01910
16
0.00000
0.00345
0.01910
17
0.00000
0.06313
-0.00952
18
0.00000
-0.04100
0.01349
19
0.00000
-0.04100
-0.01349
20
0.00000
0.06313
0.00952
21
0.00000
-0.05481
0.04702
22
0.00000
0.05738
-0.04208
23
0.00000
0.05738
0.04208
24
0.00000
-0.05481
-0.04702
25
0.00000
0.03312
0.00520
26
0.00000
0.03312
-0.00520
27
0.00000
-0.02086
0.03798
28
0.00000
-0.02086
-0.03798
29
0.00000
0.06384
-0.09352
30
0.00000
-0.04238
0.08923
31
0.00000
-0.04238
-0.08923
32
0.00000
0.06384
0.09352
33
0.00000
-0.09062
0.02509
34
0.00000
0.11526
-0.00914
35
0.00000
0.11526
0.00914
36
0.00000
-0.09062
-0.02509
37
0.00000
-0.00476
0.04755
38
0.00000
-0.01740
0.01057
39
0.00000
-0.01740
-0.01057
40
0.00000
-0.00476
-0.04755
41
0.00000
0.03343
-0.00939
42
0.00000
0.03343
0.00939