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)
-0.15500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01411
-0.00654
2
0.00000
0.01412
0.00654
3
0.00000
0.03910
-0.00281
4
0.00000
-0.04464
0.03811
5
0.00000
-0.04464
-0.03811
6
0.00000
0.03910
0.00280
7
0.00000
0.02530
0.01076
8
0.00000
-0.03958
0.08135
9
0.00000
-0.03957
-0.08135
10
0.00000
0.02530
-0.01076
11
0.00000
-0.04378
0.02911
12
0.00000
0.03244
0.05914
13
0.00000
0.03244
-0.05915
14
0.00000
-0.04378
-0.02911
15
0.00000
0.02334
0.00782
16
0.00000
0.02335
-0.00782
17
0.00000
0.03579
0.02089
18
0.00000
0.01366
-0.01463
19
0.00000
0.01366
0.01462
20
0.00000
0.03580
-0.02088
21
0.00000
0.03392
0.00901
22
0.00000
-0.04507
0.03965
23
0.00000
-0.04506
-0.03965
24
0.00000
0.03392
-0.00900
25
0.00000
-0.04432
0.06229
26
0.00000
-0.04432
-0.06229
27
0.00000
-0.00862
0.04263
28
0.00000
-0.00862
-0.04263
29
0.00000
0.03625
0.02999
30
0.00000
0.01297
-0.05287
31
0.00000
0.01297
0.05285
32
0.00000
0.03626
-0.02997
33
0.00000
0.04281
0.01396
34
0.00000
-0.10440
0.00601
35
0.00000
-0.10439
-0.00601
36
0.00000
0.04280
-0.01395
37
0.00000
0.04393
0.07390
38
0.00000
0.11257
0.10692
39
0.00000
0.11257
-0.10693
40
0.00000
0.04393
-0.07390
41
0.00000
-0.04506
0.08127
42
0.00000
-0.04506
-0.08127