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)
-2.86700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.07420
-0.00264
2
0.00000
-0.07420
0.00263
3
0.00000
0.02477
0.02011
4
0.00000
0.02917
0.02329
5
0.00000
0.02917
-0.02329
6
0.00000
0.02477
-0.02011
7
0.00000
-0.04259
-0.01239
8
0.00000
-0.06553
-0.02481
9
0.00000
-0.06553
0.02481
10
0.00000
-0.04259
0.01239
11
0.00000
0.01606
-0.03376
12
0.00000
0.01807
0.01459
13
0.00000
0.01807
-0.01459
14
0.00000
0.01607
0.03377
15
0.00000
0.06535
0.01889
16
0.00000
0.06535
-0.01888
17
0.00000
-0.02676
-0.03788
18
0.00000
-0.03071
-0.00542
19
0.00000
-0.03071
0.00542
20
0.00000
-0.02676
0.03788
21
0.00000
0.05352
0.03672
22
0.00000
0.06858
0.02890
23
0.00000
0.06859
-0.02890
24
0.00000
0.05351
-0.03671
25
0.00000
-0.00224
0.05191
26
0.00000
-0.00224
-0.05191
27
0.00000
-0.00962
-0.02881
28
0.00000
-0.00961
0.02881
29
0.00000
-0.03090
0.07055
30
0.00000
-0.03528
0.00649
31
0.00000
-0.03528
-0.00649
32
0.00000
-0.03090
-0.07054
33
0.00000
-0.08136
-0.04814
34
0.00000
-0.11040
-0.07905
35
0.00000
-0.11040
0.07906
36
0.00000
-0.08134
0.04813
37
0.00000
0.03489
-0.00596
38
0.00000
-0.05504
-0.02736
39
0.00000
-0.05504
0.02736
40
0.00000
0.03487
0.00598
41
0.00000
-0.00622
-0.07507
42
0.00000
-0.00622
0.07509