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)
-0.04900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01649
-0.01546
2
0.00000
0.01649
0.01545
3
0.00000
-0.06941
0.02670
4
0.00000
0.02202
0.01414
5
0.00000
0.02202
-0.01414
6
0.00000
-0.06941
-0.02671
7
0.00000
-0.03671
0.08204
8
0.00000
-0.01119
0.01987
9
0.00000
-0.01119
-0.01987
10
0.00000
-0.03671
-0.08205
11
0.00000
0.05777
0.02493
12
0.00000
-0.03915
0.02081
13
0.00000
-0.03915
-0.02081
14
0.00000
0.05777
-0.02494
15
0.00000
0.04584
-0.02484
16
0.00000
0.04584
0.02484
17
0.00000
0.06734
-0.00968
18
0.00000
0.02186
0.01695
19
0.00000
0.02187
-0.01694
20
0.00000
0.06735
0.00967
21
0.00000
-0.04231
0.06540
22
0.00000
-0.01043
0.03002
23
0.00000
-0.01042
-0.03001
24
0.00000
-0.04231
-0.06541
25
0.00000
0.02391
-0.00276
26
0.00000
0.02389
0.00276
27
0.00000
-0.03747
0.01348
28
0.00000
-0.03747
-0.01346
29
0.00000
0.06764
-0.06480
30
0.00000
0.02208
-0.01394
31
0.00000
0.02209
0.01395
32
0.00000
0.06764
0.06479
33
0.00000
-0.12731
0.01250
34
0.00000
-0.01499
0.02759
35
0.00000
-0.01498
-0.02758
36
0.00000
-0.12731
-0.01250
37
0.00000
-0.04415
0.00929
38
0.00000
-0.02814
0.02751
39
0.00000
-0.02814
-0.02751
40
0.00000
-0.04414
-0.00928
41
0.00000
0.02314
-0.07427
42
0.00000
0.02312
0.07427