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)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01069
-0.01474
0.00000
2
-0.01069
0.01474
0.00000
3
0.05721
-0.03506
0.00000
4
-0.00827
0.03968
0.00000
5
0.00827
-0.03968
0.00000
6
-0.05721
0.03506
0.00000
7
0.05693
0.01081
0.00000
8
0.04625
0.02072
0.00000
9
-0.04625
-0.02072
0.00000
10
-0.05693
-0.01081
0.00000
11
0.04470
-0.07483
0.00000
12
-0.01701
0.05812
0.00000
13
0.01701
-0.05812
0.00000
14
-0.04470
0.07483
0.00000
15
0.04805
-0.07613
0.00000
16
-0.04806
0.07613
0.00000
17
0.00565
-0.07381
0.00000
18
-0.00565
0.07381
0.00000
19
-0.00590
-0.01589
0.00000
20
0.00591
0.01588
0.00000
21
0.03143
0.02398
0.00000
22
-0.03143
-0.02399
0.00000
23
0.06386
-0.06312
0.00000
24
-0.06387
0.06312
0.00000
25
-0.02324
-0.10003
0.00000
26
0.02325
0.10003
0.00000
27
-0.05553
0.00010
0.00000
28
0.05554
-0.00010
0.00000
29
0.01497
-0.04447
0.00000
30
-0.01497
0.04447
0.00000
31
-0.05375
0.01725
0.00000
32
0.05375
-0.01725
0.00000
33
0.02541
0.05300
0.00000
34
-0.02541
-0.05300
0.00000