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)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
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)
1.87300
Eigenvectors
#
X
Y
Z
1
0.00000
0.03077
-0.04701
2
0.00000
-0.03077
-0.04701
3
0.00000
-0.00315
0.00553
4
0.00000
-0.03407
0.05507
5
0.00000
0.03407
0.05507
6
0.00000
0.00315
0.00553
7
0.00000
-0.00243
0.01456
8
0.00000
-0.01772
0.01318
9
0.00000
0.01772
0.01318
10
0.00000
0.00243
0.01456
11
0.00000
0.00818
-0.00661
12
0.00000
-0.02008
-0.01041
13
0.00000
0.02008
-0.01041
14
0.00000
-0.00818
-0.00661
15
0.00000
0.00899
-0.10612
16
0.00000
-0.00899
-0.10612
17
0.00000
-0.04022
0.01025
18
0.00000
-0.02268
-0.00335
19
0.00000
0.02268
-0.00335
20
0.00000
0.04022
0.01025
21
0.00000
0.00090
0.01957
22
0.00000
0.01134
0.01645
23
0.00000
-0.01134
0.01645
24
0.00000
-0.00090
0.01957
25
0.00000
-0.00509
-0.01025
26
0.00000
0.00509
-0.01025
27
0.00000
-0.00325
0.00916
28
0.00000
0.00325
0.00916
29
0.00000
-0.04718
0.25696
30
0.00000
-0.02762
0.14755
31
0.00000
0.02762
0.14755
32
0.00000
0.04718
0.25696
33
0.00000
0.07295
0.06377
34
0.00000
0.19386
0.12312
35
0.00000
-0.19386
0.12312
36
0.00000
-0.07295
0.06377
37
0.00000
0.09122
0.06604
38
0.00000
-0.18911
-0.10842
39
0.00000
0.18911
-0.10842
40
0.00000
-0.09122
0.06604
41
0.00000
-0.00511
-0.07299
42
0.00000
0.00511
-0.07299