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)
-1074.15550
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00573 c
(cm-1)
0.00372
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.14026
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)
-0.40600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02006
0.01840
2
0.00000
0.02006
0.01840
3
0.00000
-0.00435
-0.00858
4
0.00000
0.00363
0.03839
5
0.00000
-0.00363
0.03839
6
0.00000
0.00435
-0.00858
7
0.00000
-0.01457
-0.03327
8
0.00000
0.00886
0.05113
9
0.00000
-0.00886
0.05113
10
0.00000
0.01457
-0.03327
11
0.00000
0.00168
-0.06893
12
0.00000
-0.00038
0.06207
13
0.00000
0.00038
0.06207
14
0.00000
-0.00168
-0.06893
15
0.00000
-0.02573
0.02816
16
0.00000
0.02573
0.02816
17
0.00000
-0.03156
0.02083
18
0.00000
0.02397
0.03337
19
0.00000
-0.02397
0.03337
20
0.00000
0.03156
0.02083
21
0.00000
-0.01596
0.00456
22
0.00000
0.00852
0.04418
23
0.00000
-0.00852
0.04418
24
0.00000
0.01596
0.00456
25
0.00000
-0.00333
-0.08642
26
0.00000
0.00333
-0.08642
27
0.00000
0.00225
-0.10158
28
0.00000
-0.00225
-0.10158
29
0.00000
-0.03047
0.02062
30
0.00000
0.02300
0.02139
31
0.00000
-0.02300
0.02139
32
0.00000
0.03047
0.02062
33
0.00000
0.00605
0.01621
34
0.00000
-0.00282
0.03855
35
0.00000
0.00282
0.03855
36
0.00000
-0.00605
0.01621
37
0.00000
0.00872
-0.09964
38
0.00000
-0.00750
0.05809
39
0.00000
0.00750
0.05809
40
0.00000
-0.00872
-0.09964
41
0.00000
-0.00126
-0.08270
42
0.00000
0.00126
-0.08270