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)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
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)
-1.72200
Eigenvectors
#
X
Y
Z
1
0.00000
0.02487
-0.01996
2
0.00000
-0.02486
-0.01996
3
0.00000
-0.06001
0.01279
4
0.00000
0.07487
0.02464
5
0.00000
-0.07487
0.02464
6
0.00000
0.06000
0.01279
7
0.00000
-0.03790
-0.04442
8
0.00000
-0.00651
-0.02117
9
0.00000
0.00652
-0.02117
10
0.00000
0.03789
-0.04442
11
0.00000
0.03823
0.01919
12
0.00000
-0.01631
0.00203
13
0.00000
0.01631
0.00203
14
0.00000
-0.03823
0.01919
15
0.00000
0.02369
0.01671
16
0.00000
-0.02370
0.01671
17
0.00000
-0.03782
-0.01931
18
0.00000
0.00487
-0.02942
19
0.00000
-0.00486
-0.02943
20
0.00000
0.03782
-0.01932
21
0.00000
0.08347
0.04870
22
0.00000
0.00372
0.02131
23
0.00000
-0.00373
0.02132
24
0.00000
-0.08347
0.04870
25
0.00000
-0.01694
-0.02278
26
0.00000
0.01694
-0.02278
27
0.00000
0.03985
0.01532
28
0.00000
-0.03986
0.01533
29
0.00000
-0.04450
-0.01720
30
0.00000
0.00545
0.05203
31
0.00000
-0.00545
0.05205
32
0.00000
0.04450
-0.01716
33
0.00000
-0.24606
-0.15985
34
0.00000
-0.03232
0.00197
35
0.00000
0.03232
0.00197
36
0.00000
0.24605
-0.15984
37
0.00000
-0.03905
-0.03277
38
0.00000
0.01743
0.02472
39
0.00000
-0.01743
0.02472
40
0.00000
0.03907
-0.03277
41
0.00000
-0.01640
0.08775
42
0.00000
0.01641
0.08775