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)
-0.40000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02189
-0.05669
2
0.00000
-0.02189
-0.05669
3
0.00000
-0.09337
0.03587
4
0.00000
-0.08829
0.05169
5
0.00000
0.08829
0.05168
6
0.00000
0.09338
0.03586
7
0.00000
0.04722
-0.01146
8
0.00000
0.04776
-0.02277
9
0.00000
-0.04775
-0.02277
10
0.00000
-0.04722
-0.01146
11
0.00000
-0.00133
0.00531
12
0.00000
0.02825
0.00388
13
0.00000
-0.02825
0.00388
14
0.00000
0.00133
0.00530
15
0.00000
-0.01875
-0.02169
16
0.00000
0.01876
-0.02169
17
0.00000
-0.00161
0.02717
18
0.00000
-0.00319
0.05581
19
0.00000
0.00319
0.05580
20
0.00000
0.00161
0.02716
21
0.00000
-0.00913
-0.01017
22
0.00000
-0.01877
-0.02566
23
0.00000
0.01877
-0.02566
24
0.00000
0.00912
-0.01017
25
0.00000
-0.00635
-0.02798
26
0.00000
0.00635
-0.02798
27
0.00000
0.02414
0.01552
28
0.00000
-0.02414
0.01552
29
0.00000
-0.00095
-0.10690
30
0.00000
-0.00341
-0.13915
31
0.00000
0.00341
-0.13915
32
0.00000
0.00095
-0.10689
33
0.00000
-0.05040
-0.03607
34
0.00000
-0.03122
-0.03500
35
0.00000
0.03121
-0.03500
36
0.00000
0.05043
-0.03608
37
0.00000
-0.01226
-0.00568
38
0.00000
0.03984
0.00621
39
0.00000
-0.03984
0.00621
40
0.00000
0.01226
-0.00568
41
0.00000
-0.00432
0.09254
42
0.00000
0.00432
0.09254