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)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.14800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05010
0.00924
2
0.00000
-0.05010
-0.00924
3
0.00000
-0.03595
0.00363
4
0.00000
-0.02660
0.00001
5
0.00000
-0.02660
-0.00001
6
0.00000
-0.03595
-0.00362
7
0.00000
0.00507
0.02119
8
0.00000
0.03358
0.02669
9
0.00000
0.03358
-0.02669
10
0.00000
0.00507
-0.02119
11
0.00000
0.04814
-0.00700
12
0.00000
0.08974
0.01231
13
0.00000
0.08974
-0.01231
14
0.00000
0.04814
0.00700
15
0.00000
-0.05575
0.04119
16
0.00000
-0.05575
-0.04119
17
0.00000
-0.03165
0.07794
18
0.00000
0.00111
0.00176
19
0.00000
0.00111
-0.00176
20
0.00000
-0.03166
-0.07794
21
0.00000
0.00030
0.06701
22
0.00000
0.02978
0.00196
23
0.00000
0.02978
-0.00196
24
0.00000
0.00030
-0.06701
25
0.00000
0.01635
-0.03505
26
0.00000
0.01635
0.03505
27
0.00000
-0.03062
-0.01704
28
0.00000
-0.03062
0.01704
29
0.00000
-0.03255
0.11519
30
0.00000
-0.00014
0.05919
31
0.00000
-0.00014
-0.05919
32
0.00000
-0.03256
-0.11520
33
0.00000
0.01808
0.07686
34
0.00000
0.01633
-0.00466
35
0.00000
0.01634
0.00466
36
0.00000
0.01808
-0.07686
37
0.00000
-0.06096
-0.03497
38
0.00000
0.12001
0.03015
39
0.00000
0.12001
-0.03015
40
0.00000
-0.06096
0.03497
41
0.00000
0.01784
-0.06980
42
0.00000
0.01784
0.06981