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)
-0.88800
Diff mu Y
(Debye)
0.50500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02058
0.02046
0.00000
2
0.02058
0.02046
0.00000
3
-0.02858
-0.03654
0.00000
4
0.00899
0.11513
0.00000
5
0.00899
0.11513
0.00000
6
-0.02857
-0.03654
0.00000
7
-0.01540
-0.07825
0.00000
8
-0.03103
-0.03129
0.00000
9
-0.03103
-0.03130
0.00000
10
-0.01540
-0.07825
0.00000
11
-0.00382
0.00165
0.00000
12
0.00331
0.01196
0.00000
13
0.00330
0.01196
0.00000
14
-0.00382
0.00164
0.00000
15
0.01800
-0.02353
0.00000
16
0.01800
-0.02353
0.00000
17
0.00911
0.00683
0.00000
18
0.00911
0.00683
0.00000
19
0.00466
0.00831
0.00000
20
0.00466
0.00831
0.00000
21
0.02744
0.01129
0.00000
22
0.02744
0.01129
0.00000
23
-0.10275
-0.13549
0.00000
24
-0.10273
-0.13547
0.00000
25
-0.03846
-0.03519
0.00000
26
-0.03845
-0.03517
0.00000
27
0.00626
0.00998
0.00000
28
0.00627
0.00998
0.00000
29
0.03237
-0.11037
0.00000
30
0.03238
-0.11038
0.00000
31
-0.01913
-0.13551
0.00000
32
-0.01913
-0.13552
0.00000
33
-0.03608
0.33497
0.00000
34
-0.03609
0.33498
0.00000