Charge: 1
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/q+1
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)
-0.22200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00017
0.00000
0.00004
2
0.00017
0.00000
-0.00004
3
0.00008
0.00000
0.00006
4
-0.00001
0.00000
0.00003
5
0.00008
0.00000
-0.00006
6
-0.00001
0.00000
-0.00003
7
-0.00146
0.00000
-0.00087
8
-0.00029
0.00000
-0.00066
9
-0.00146
0.00000
0.00087
10
-0.00029
0.00000
0.00066
11
0.01631
0.00000
-0.02853
12
-0.00165
0.00000
0.00238
13
0.01631
0.00000
0.02853
14
-0.00166
0.00000
-0.00238
15
-0.02900
0.00000
0.00070
16
0.00644
0.00000
0.00011
17
-0.02899
0.00000
-0.00070
18
0.00644
0.00000
-0.00011
19
-0.01737
0.00000
0.03148
20
-0.01737
0.00000
-0.03148
21
-0.00016
0.00000
-0.00084
22
-0.00016
0.00000
0.00084
23
0.34602
0.00000
-0.00032
24
-0.07409
0.00000
-0.00233
25
0.34598
0.00000
0.00032
26
-0.07412
0.00000
0.00233
27
-0.18754
0.00000
0.33889
28
0.01840
0.00000
-0.03106
29
-0.18752
0.00000
-0.33885
30
0.01841
0.00000
0.03108
31
0.00414
0.00000
0.00770
32
0.00414
0.00000
-0.00770
33
0.21396
0.00000
-0.36720
34
0.21396
0.00000
0.36720