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)
0.29800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03900
0.03067
2
0.00000
-0.03903
-0.03067
3
0.00000
0.00053
0.04241
4
0.00000
0.01967
0.01001
5
0.00000
0.01967
-0.00999
6
0.00000
0.00053
-0.04243
7
0.00000
0.03903
0.00385
8
0.00000
0.06388
0.07052
9
0.00000
0.06387
-0.07051
10
0.00000
0.03903
-0.00386
11
0.00000
-0.00383
-0.06733
12
0.00000
-0.00451
-0.02015
13
0.00000
-0.00451
0.02015
14
0.00000
-0.00384
0.06735
15
0.00000
-0.01345
-0.04122
16
0.00000
-0.01345
0.04122
17
0.00000
-0.00179
-0.01242
18
0.00000
-0.01392
-0.01829
19
0.00000
-0.01392
0.01829
20
0.00000
-0.00180
0.01243
21
0.00000
-0.01086
0.02061
22
0.00000
0.00305
0.01637
23
0.00000
0.00305
-0.01636
24
0.00000
-0.01085
-0.02062
25
0.00000
-0.00413
-0.00594
26
0.00000
-0.00414
0.00594
27
0.00000
-0.00661
0.01482
28
0.00000
-0.00661
-0.01482
29
0.00000
-0.00341
-0.14387
30
0.00000
-0.01620
-0.17856
31
0.00000
-0.01620
0.17850
32
0.00000
-0.00342
0.14400
33
0.00000
0.07085
0.07405
34
0.00000
-0.20764
-0.10267
35
0.00000
-0.20765
0.10269
36
0.00000
0.07092
-0.07410
37
0.00000
0.05196
0.05090
38
0.00000
-0.22620
-0.15380
39
0.00000
-0.22615
0.15376
40
0.00000
0.05200
-0.05093
41
0.00000
-0.00302
0.11402
42
0.00000
-0.00303
-0.11405