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)
0.31700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01501
-0.05523
2
0.00000
-0.01503
0.05524
3
0.00000
0.00214
0.06783
4
0.00000
0.00287
-0.03364
5
0.00000
0.00286
0.03364
6
0.00000
0.00215
-0.06783
7
0.00000
-0.00698
-0.05618
8
0.00000
-0.01078
0.01151
9
0.00000
-0.01077
-0.01151
10
0.00000
-0.00698
0.05619
11
0.00000
-0.00065
0.04848
12
0.00000
0.00228
0.00018
13
0.00000
0.00228
-0.00018
14
0.00000
-0.00066
-0.04848
15
0.00000
0.01129
0.05317
16
0.00000
0.01130
-0.05317
17
0.00000
-0.02127
-0.08535
18
0.00000
-0.00528
0.01821
19
0.00000
-0.00527
-0.01822
20
0.00000
-0.02128
0.08537
21
0.00000
0.04533
0.06469
22
0.00000
0.00557
-0.00412
23
0.00000
0.00555
0.00413
24
0.00000
0.04535
-0.06471
25
0.00000
-0.00986
-0.06172
26
0.00000
-0.00985
0.06172
27
0.00000
0.01958
0.04178
28
0.00000
0.01958
-0.04178
29
0.00000
-0.02620
0.11088
30
0.00000
-0.00593
-0.02973
31
0.00000
-0.00592
0.02975
32
0.00000
-0.02621
-0.11090
33
0.00000
-0.11084
-0.02619
34
0.00000
-0.00071
-0.00730
35
0.00000
-0.00068
0.00730
36
0.00000
-0.11087
0.02620
37
0.00000
-0.06616
-0.00390
38
0.00000
-0.01006
-0.00621
39
0.00000
-0.01006
0.00621
40
0.00000
-0.06616
0.00390
41
0.00000
-0.00914
0.09804
42
0.00000
-0.00914
-0.09804