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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
-0.01100
Eigenvectors
#
X
Y
Z
1
-0.00060
0.00000
-0.00915
2
0.00061
0.00000
-0.00916
3
-0.02100
0.00000
0.00768
4
0.04955
0.00000
-0.01045
5
0.02100
0.00000
0.00770
6
-0.04954
0.00000
-0.01044
7
0.02369
0.00000
-0.00155
8
-0.01449
0.00000
0.04462
9
-0.02371
0.00000
-0.00156
10
0.01448
0.00000
0.04461
11
-0.03107
0.00000
0.00888
12
-0.06293
0.00000
-0.06875
13
0.03108
0.00000
0.00890
14
0.06292
0.00000
-0.06873
15
0.00446
0.00000
-0.05957
16
0.03274
0.00000
0.03929
17
-0.00446
0.00000
-0.05961
18
-0.03274
0.00000
0.03925
19
0.05224
0.00000
0.00439
20
-0.05223
0.00000
0.00439
21
0.01841
0.00000
0.03190
22
-0.01841
0.00000
0.03191
23
0.00820
0.00000
0.19302
24
0.04170
0.00000
-0.06159
25
-0.00820
0.00000
0.19312
26
-0.04169
0.00000
-0.06153
27
0.07073
0.00000
0.07384
28
0.21551
0.00000
0.09359
29
-0.07072
0.00000
0.07386
30
-0.21547
0.00000
0.09358
31
0.25702
0.00000
-0.09627
32
-0.25696
0.00000
-0.09624
33
-0.03011
0.00000
-0.05125
34
0.03008
0.00000
-0.05123