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)
0.42400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04750
-0.00657
2
0.00000
-0.04750
0.00657
3
0.00000
0.01631
0.02972
4
0.00000
0.01896
0.02481
5
0.00000
0.01896
-0.02481
6
0.00000
0.01631
-0.02972
7
0.00000
-0.03212
-0.01943
8
0.00000
-0.05271
-0.03731
9
0.00000
-0.05271
0.03731
10
0.00000
-0.03212
0.01943
11
0.00000
0.00788
-0.03051
12
0.00000
0.01740
0.02240
13
0.00000
0.01740
-0.02240
14
0.00000
0.00788
0.03051
15
0.00000
0.04439
0.01271
16
0.00000
0.04439
-0.01271
17
0.00000
-0.03191
-0.05386
18
0.00000
-0.03186
-0.03275
19
0.00000
-0.03186
0.03275
20
0.00000
-0.03191
0.05386
21
0.00000
0.05914
0.05065
22
0.00000
0.06560
0.04557
23
0.00000
0.06560
-0.04557
24
0.00000
0.05914
-0.05065
25
0.00000
0.00675
0.05751
26
0.00000
0.00675
-0.05751
27
0.00000
-0.01808
-0.03894
28
0.00000
-0.01808
0.03894
29
0.00000
-0.03300
0.06336
30
0.00000
-0.03358
0.02909
31
0.00000
-0.03358
-0.02909
32
0.00000
-0.03300
-0.06336
33
0.00000
-0.09953
-0.04356
34
0.00000
-0.11342
-0.05831
35
0.00000
-0.11342
0.05831
36
0.00000
-0.09953
0.04356
37
0.00000
0.06419
0.00598
38
0.00000
-0.05590
-0.02101
39
0.00000
-0.05590
0.02101
40
0.00000
0.06419
-0.00598
41
0.00000
0.00649
-0.07595
42
0.00000
0.00649
0.07595