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)
-0.39100
Eigenvectors
#
X
Y
Z
1
0.00000
0.01039
0.02882
2
0.00000
-0.01038
0.02882
3
0.00000
-0.00247
-0.01408
4
0.00000
0.05920
-0.03018
5
0.00000
-0.05920
-0.03017
6
0.00000
0.00246
-0.01408
7
0.00000
-0.01056
0.00535
8
0.00000
-0.05928
0.01801
9
0.00000
0.05928
0.01800
10
0.00000
0.01056
0.00534
11
0.00000
0.01060
0.00244
12
0.00000
0.12518
0.02153
13
0.00000
-0.12518
0.02153
14
0.00000
-0.01060
0.00244
15
0.00000
0.00207
-0.05352
16
0.00000
-0.00207
-0.05352
17
0.00000
-0.00345
0.03261
18
0.00000
0.01386
0.07376
19
0.00000
-0.01386
0.07375
20
0.00000
0.00345
0.03261
21
0.00000
0.00158
-0.01098
22
0.00000
-0.01645
-0.04783
23
0.00000
0.01644
-0.04782
24
0.00000
-0.00158
-0.01097
25
0.00000
-0.00324
-0.00449
26
0.00000
0.00324
-0.00449
27
0.00000
0.00540
0.00290
28
0.00000
-0.00540
0.00290
29
0.00000
-0.00402
-0.04997
30
0.00000
0.01902
-0.09988
31
0.00000
-0.01901
-0.09987
32
0.00000
0.00402
-0.04996
33
0.00000
-0.00354
-0.01526
34
0.00000
0.05580
-0.01347
35
0.00000
-0.05579
-0.01347
36
0.00000
0.00354
-0.01527
37
0.00000
-0.00370
-0.00220
38
0.00000
-0.10462
-0.12163
39
0.00000
0.10462
-0.12164
40
0.00000
0.00370
-0.00220
41
0.00000
-0.00330
0.01271
42
0.00000
0.00330
0.01271