Charge: -1
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-1
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
0.00001
0.00000
2
-0.00001
-0.00001
0.00000
3
0.00004
0.00019
0.00000
4
0.00005
-0.00002
0.00000
5
-0.00005
0.00002
0.00000
6
-0.00004
-0.00018
0.00000
7
0.00001
0.00088
0.00000
8
-0.00006
-0.00007
0.00000
9
0.00006
0.00007
0.00000
10
-0.00001
-0.00087
0.00000
11
0.00051
0.00072
0.00000
12
-0.00003
-0.00002
0.00000
13
0.00003
0.00002
0.00000
14
-0.00051
-0.00071
0.00000
15
0.00023
-0.00037
0.00000
16
-0.00023
0.00036
0.00000
17
0.01026
-0.00816
0.00000
18
-0.01021
0.00812
0.00000
19
-0.01822
-0.05511
0.00000
20
0.01814
0.05485
0.00000
21
-0.01250
-0.00043
0.00000
22
0.01244
0.00043
0.00000
23
-0.00350
0.00348
0.00000
24
0.00349
-0.00347
0.00000
25
-0.09068
0.09888
0.00000
26
0.09025
-0.09840
0.00000
27
0.20237
0.61572
0.00000
28
-0.20140
-0.61277
0.00000
29
-0.00044
-0.00016
0.00000
30
0.00044
0.00016
0.00000
31
-0.00113
0.00009
0.00000
32
0.00114
-0.00009
0.00000
33
0.12561
0.02424
0.00000
34
-0.12500
-0.02412
0.00000