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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.01687
0.02714
0.00000
2
-0.01687
-0.02714
0.00000
3
0.00508
0.04038
0.00000
4
0.00138
-0.00168
0.00000
5
-0.00138
0.00168
0.00000
6
-0.00508
-0.04038
0.00000
7
-0.02075
-0.00297
0.00000
8
0.02418
0.00744
0.00000
9
-0.02418
-0.00744
0.00000
10
0.02075
0.00297
0.00000
11
-0.01214
-0.01714
0.00000
12
-0.01573
-0.01130
0.00000
13
0.01573
0.01130
0.00000
14
0.01214
0.01714
0.00000
15
0.00156
-0.00720
0.00000
16
-0.00156
0.00720
0.00000
17
-0.07100
-0.00761
0.00000
18
0.07100
0.00761
0.00000
19
0.02897
0.05753
0.00000
20
-0.02897
-0.05753
0.00000
21
0.05162
-0.04443
0.00000
22
-0.05162
0.04443
0.00000
23
0.00533
-0.00398
0.00000
24
-0.00533
0.00398
0.00000
25
-0.30935
-0.21321
0.00000
26
0.30935
0.21321
0.00000
27
0.02723
0.06232
0.00000
28
-0.02723
-0.06232
0.00000
29
0.00747
0.05320
0.00000
30
-0.00747
-0.05320
0.00000
31
-0.01543
-0.05551
0.00000
32
0.01543
0.05551
0.00000
33
0.11599
-0.33183
0.00000
34
-0.11599
0.33183
0.00000