Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04577
0.02416
0.00000
2
-0.04576
-0.02416
0.00000
3
0.01425
0.01261
0.00000
4
-0.10332
-0.03818
0.00000
5
0.10332
0.03818
0.00000
6
-0.01425
-0.01262
0.00000
7
-0.01032
-0.01953
0.00000
8
-0.07966
-0.06113
0.00000
9
0.07966
0.06113
0.00000
10
0.01031
0.01952
0.00000
11
0.00168
-0.00552
0.00000
12
-0.08402
0.01663
0.00000
13
0.08403
-0.01663
0.00000
14
-0.00168
0.00552
0.00000
15
0.02394
-0.01060
0.00000
16
-0.02394
0.01060
0.00000
17
-0.03226
-0.00978
0.00000
18
0.03226
0.00979
0.00000
19
-0.03281
-0.03370
0.00000
20
0.03280
0.03370
0.00000
21
-0.02179
-0.02543
0.00000
22
0.02178
0.02543
0.00000
23
0.00315
-0.03081
0.00000
24
-0.00315
0.03081
0.00000
25
-0.03663
-0.01480
0.00000
26
0.03663
0.01481
0.00000
27
-0.02398
-0.03691
0.00000
28
0.02399
0.03691
0.00000
29
0.09807
-0.07436
0.00000
30
-0.09807
0.07436
0.00000
31
0.06786
0.12454
0.00000
32
-0.06786
-0.12454
0.00000
33
-0.02644
-0.00646
0.00000
34
0.02643
0.00645
0.00000