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)
-0.41600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00172
-0.07131
2
0.00000
-0.00172
-0.07131
3
0.00000
-0.02536
-0.03419
4
0.00000
-0.02222
-0.03056
5
0.00000
0.02222
-0.03056
6
0.00000
0.02536
-0.03419
7
0.00000
-0.03919
0.01235
8
0.00000
-0.03362
0.02233
9
0.00000
0.03362
0.02233
10
0.00000
0.03919
0.01235
11
0.00000
-0.00723
0.00036
12
0.00000
-0.00246
0.01075
13
0.00000
0.00246
0.01075
14
0.00000
0.00724
0.00036
15
0.00000
0.00414
-0.03872
16
0.00000
-0.00414
-0.03872
17
0.00000
0.07713
0.00132
18
0.00000
0.06846
-0.00763
19
0.00000
-0.06846
-0.00763
20
0.00000
-0.07713
0.00132
21
0.00000
-0.05083
0.07421
22
0.00000
-0.04350
0.05831
23
0.00000
0.04350
0.05831
24
0.00000
0.05083
0.07422
25
0.00000
-0.01728
0.00715
26
0.00000
0.01728
0.00715
27
0.00000
-0.00204
-0.00310
28
0.00000
0.00204
-0.00310
29
0.00000
0.07677
-0.05731
30
0.00000
0.06808
-0.05774
31
0.00000
-0.06808
-0.05774
32
0.00000
-0.07677
-0.05731
33
0.00000
-0.11510
0.03516
34
0.00000
-0.11275
0.01982
35
0.00000
0.11275
0.01982
36
0.00000
0.11510
0.03516
37
0.00000
0.01289
0.00602
38
0.00000
0.01620
0.02316
39
0.00000
-0.01620
0.02316
40
0.00000
-0.01289
0.00602
41
0.00000
-0.01721
0.01571
42
0.00000
0.01721
0.01571