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)
0.07100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00007
0.00000
0.04081
2
0.00007
0.00000
-0.04081
3
-0.00381
0.00000
-0.03301
4
0.01587
0.00000
0.01830
5
-0.00381
0.00000
0.03301
6
0.01587
0.00000
-0.01830
7
-0.06626
0.00000
-0.03720
8
0.00199
0.00000
-0.00223
9
-0.06626
0.00000
0.03720
10
0.00199
0.00000
0.00223
11
0.02153
0.00000
-0.02630
12
-0.01566
0.00000
0.02394
13
0.02153
0.00000
0.02630
14
-0.01566
0.00000
-0.02394
15
0.03791
0.00000
-0.01068
16
-0.01841
0.00000
0.00867
17
0.03791
0.00000
0.01068
18
-0.01841
0.00000
-0.00867
19
0.00492
0.00000
0.00320
20
0.00492
0.00000
-0.00320
21
-0.00590
0.00000
0.11497
22
-0.00590
0.00000
-0.11497
23
0.04584
0.00000
-0.17586
24
-0.02767
0.00000
0.20352
25
0.04584
0.00000
0.17586
26
-0.02767
0.00000
-0.20351
27
0.06837
0.00000
-0.00847
28
0.13312
0.00000
0.11525
29
0.06836
0.00000
0.00848
30
0.13312
0.00000
-0.11525
31
-0.09788
0.00000
0.05265
32
-0.09789
0.00000
-0.05265
33
0.20872
0.00000
0.12375
34
0.20872
0.00000
-0.12375