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)
0.13400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01768
0.00528
2
0.00000
-0.01768
-0.00528
3
0.00000
0.06722
-0.03598
4
0.00000
-0.00963
-0.01141
5
0.00000
-0.00963
0.01141
6
0.00000
0.06722
0.03598
7
0.00000
0.03242
-0.08155
8
0.00000
0.01613
-0.01840
9
0.00000
0.01613
0.01840
10
0.00000
0.03242
0.08155
11
0.00000
-0.05858
-0.02997
12
0.00000
0.03103
-0.01921
13
0.00000
0.03103
0.01922
14
0.00000
-0.05858
0.02997
15
0.00000
-0.05235
0.02330
16
0.00000
-0.05234
-0.02330
17
0.00000
-0.06713
0.01318
18
0.00000
-0.02639
-0.01448
19
0.00000
-0.02639
0.01448
20
0.00000
-0.06713
-0.01318
21
0.00000
0.04305
-0.05962
22
0.00000
0.01593
-0.03548
23
0.00000
0.01593
0.03548
24
0.00000
0.04305
0.05962
25
0.00000
-0.02071
-0.00010
26
0.00000
-0.02071
0.00010
27
0.00000
0.03823
-0.01880
28
0.00000
0.03823
0.01880
29
0.00000
-0.06683
0.07352
30
0.00000
-0.02681
0.02743
31
0.00000
-0.02681
-0.02744
32
0.00000
-0.06683
-0.07352
33
0.00000
0.13074
-0.00635
34
0.00000
0.02515
-0.03007
35
0.00000
0.02515
0.03007
36
0.00000
0.13074
0.00635
37
0.00000
0.04035
-0.01684
38
0.00000
0.01855
-0.02638
39
0.00000
0.01855
0.02638
40
0.00000
0.04035
0.01684
41
0.00000
-0.02043
0.07641
42
0.00000
-0.02043
-0.07641