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)
0.00000
Diff mu Z
(Debye)
0.75700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00111
-0.02772
2
0.00000
-0.00112
-0.02772
3
0.00000
0.00268
-0.06130
4
0.00000
-0.00865
-0.00863
5
0.00000
0.00865
-0.00862
6
0.00000
-0.00267
-0.06130
7
0.00000
-0.00069
-0.06621
8
0.00000
-0.02440
0.01520
9
0.00000
0.02441
0.01521
10
0.00000
0.00070
-0.06620
11
0.00000
0.00795
-0.04620
12
0.00000
-0.00052
0.00745
13
0.00000
0.00053
0.00745
14
0.00000
-0.00796
-0.04619
15
0.00000
0.00971
0.01760
16
0.00000
-0.00972
0.01759
17
0.00000
-0.02593
-0.01821
18
0.00000
-0.02244
0.04799
19
0.00000
0.02244
0.04799
20
0.00000
0.02592
-0.01821
21
0.00000
-0.00325
-0.04381
22
0.00000
-0.03483
0.06482
23
0.00000
0.03483
0.06483
24
0.00000
0.00326
-0.04379
25
0.00000
0.08428
0.01660
26
0.00000
-0.08429
0.01660
27
0.00000
0.00505
0.09160
28
0.00000
-0.00504
0.09161
29
0.00000
-0.02529
-0.03949
30
0.00000
-0.02393
0.03656
31
0.00000
0.02393
0.03655
32
0.00000
0.02527
-0.03950
33
0.00000
0.03438
-0.01936
34
0.00000
-0.02146
0.07444
35
0.00000
0.02147
0.07444
36
0.00000
-0.03436
-0.01935
37
0.00000
-0.06504
0.05160
38
0.00000
0.01067
0.01475
39
0.00000
-0.01067
0.01475
40
0.00000
0.06505
0.05160
41
0.00000
0.08242
0.00985
42
0.00000
-0.08243
0.00983