Charge: 2
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+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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)
-0.14600
Diff mu Y
(Debye)
-0.10600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00114
0.06803
0.00000
2
0.00114
0.06803
0.00000
3
0.00765
-0.06560
0.00000
4
0.03495
-0.02363
0.00000
5
0.03495
-0.02362
0.00000
6
0.00766
-0.06560
0.00000
7
-0.08646
0.01019
0.00000
8
0.01867
-0.00675
0.00000
9
0.01867
-0.00675
0.00000
10
-0.08647
0.01019
0.00000
11
0.05640
-0.02216
0.00000
12
-0.00802
0.00632
0.00000
13
-0.00802
0.00632
0.00000
14
0.05641
-0.02216
0.00000
15
-0.02152
0.00948
0.00000
16
-0.02153
0.00948
0.00000
17
-0.03777
0.00626
0.00000
18
-0.03777
0.00626
0.00000
19
0.01382
-0.03332
0.00000
20
0.01382
-0.03332
0.00000
21
0.00527
0.06668
0.00000
22
0.00527
0.06668
0.00000
23
-0.08935
-0.04770
0.00000
24
-0.08935
-0.04769
0.00000
25
0.12857
0.15121
0.00000
26
0.12857
0.15122
0.00000
27
0.07077
-0.05272
0.00000
28
0.07077
-0.05272
0.00000
29
-0.02486
0.07983
0.00000
30
-0.02486
0.07983
0.00000
31
0.07209
-0.24378
0.00000
32
0.07209
-0.24378
0.00000
33
0.03178
-0.07140
0.00000
34
0.03178
-0.07140
0.00000