Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.10000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01482
0.00000
0.01800
2
-0.01482
0.00000
-0.01800
3
0.00055
0.00000
-0.02867
4
0.01503
0.00000
-0.01137
5
0.00055
0.00000
0.02867
6
0.01503
0.00000
0.01137
7
0.00760
0.00000
-0.00608
8
-0.00005
0.00000
0.01632
9
0.00760
0.00000
0.00608
10
-0.00005
0.00000
-0.01632
11
-0.06652
0.00000
-0.00451
12
-0.02708
0.00000
0.00264
13
-0.06652
0.00000
0.00451
14
-0.02708
0.00000
-0.00264
15
0.02741
0.00000
-0.06191
16
0.00659
0.00000
-0.03711
17
0.02741
0.00000
0.06190
18
0.00659
0.00000
0.03711
19
0.03505
0.00000
0.05520
20
0.03505
0.00000
-0.05520
21
0.00261
0.00000
0.01445
22
0.00261
0.00000
-0.01445
23
0.03016
0.00000
0.29107
24
0.00489
0.00000
0.16010
25
0.03016
0.00000
-0.29106
26
0.00489
0.00000
-0.16011
27
0.22633
0.00000
0.16214
28
0.11648
0.00000
0.08978
29
0.22633
0.00000
-0.16214
30
0.11648
0.00000
-0.08979
31
0.03309
0.00000
0.00305
32
0.03310
0.00000
-0.00305
33
-0.24877
0.00000
-0.10580
34
-0.24877
0.00000
0.10580