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)
0.00000
Diff mu Z
(Debye)
-0.14500
Eigenvectors
#
X
Y
Z
1
0.00000
0.02239
-0.03664
2
0.00000
-0.02239
-0.03665
3
0.00000
-0.00496
0.01373
4
0.00000
-0.05327
0.04445
5
0.00000
0.05327
0.04445
6
0.00000
0.00496
0.01372
7
0.00000
0.00807
0.01275
8
0.00000
-0.06558
-0.02000
9
0.00000
0.06559
-0.02001
10
0.00000
-0.00807
0.01275
11
0.00000
0.01114
-0.02050
12
0.00000
-0.02383
0.01417
13
0.00000
0.02383
0.01417
14
0.00000
-0.01114
-0.02050
15
0.00000
0.00256
-0.08735
16
0.00000
-0.00256
-0.08735
17
0.00000
-0.03387
0.00562
18
0.00000
-0.00689
-0.00202
19
0.00000
0.00689
-0.00202
20
0.00000
0.03388
0.00562
21
0.00000
-0.00105
0.01913
22
0.00000
0.01971
0.00443
23
0.00000
-0.01971
0.00442
24
0.00000
0.00106
0.01913
25
0.00000
-0.00609
0.00129
26
0.00000
0.00609
0.00129
27
0.00000
-0.00597
0.00512
28
0.00000
0.00597
0.00512
29
0.00000
-0.04047
0.17441
30
0.00000
-0.00966
0.11313
31
0.00000
0.00966
0.11313
32
0.00000
0.04047
0.17443
33
0.00000
0.07085
0.06547
34
0.00000
0.33786
0.18307
35
0.00000
-0.33787
0.18307
36
0.00000
-0.07085
0.06547
37
0.00000
0.08625
0.06031
38
0.00000
-0.09818
-0.02230
39
0.00000
0.09815
-0.02228
40
0.00000
-0.08625
0.06030
41
0.00000
-0.00643
-0.02842
42
0.00000
0.00643
-0.02841