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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.61400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04869
-0.01441
2
0.00000
-0.04869
0.01441
3
0.00000
0.03103
-0.04573
4
0.00000
0.01751
-0.05121
5
0.00000
0.01751
0.05121
6
0.00000
0.03103
0.04573
7
0.00000
0.05081
0.00593
8
0.00000
-0.01770
-0.04892
9
0.00000
-0.01770
0.04892
10
0.00000
0.05081
-0.00593
11
0.00000
0.00139
-0.01169
12
0.00000
0.00197
0.02788
13
0.00000
0.00197
-0.02788
14
0.00000
0.00139
0.01169
15
0.00000
-0.03145
-0.07422
16
0.00000
-0.03145
0.07422
17
0.00000
0.00967
0.00166
18
0.00000
0.04904
-0.02345
19
0.00000
0.04904
0.02345
20
0.00000
0.00967
-0.00166
21
0.00000
-0.04269
0.02152
22
0.00000
-0.00587
0.00107
23
0.00000
-0.00587
-0.00107
24
0.00000
-0.04269
-0.02152
25
0.00000
0.01657
0.04189
26
0.00000
0.01657
-0.04189
27
0.00000
-0.01491
-0.01158
28
0.00000
-0.01491
0.01158
29
0.00000
0.00343
0.05112
30
0.00000
0.05118
-0.13418
31
0.00000
0.05118
0.13418
32
0.00000
0.00343
-0.05112
33
0.00000
-0.15108
-0.03986
34
0.00000
-0.08340
-0.04824
35
0.00000
-0.08340
0.04824
36
0.00000
-0.15108
0.03986
37
0.00000
-0.15243
-0.09282
38
0.00000
0.11490
0.09343
39
0.00000
0.11490
-0.09343
40
0.00000
-0.15243
0.09282
41
0.00000
0.01875
0.19755
42
0.00000
0.01875
-0.19755