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)
0.05900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02534
0.00000
0.00792
2
-0.02534
0.00000
-0.00792
3
0.02620
0.00000
-0.00173
4
0.01914
0.00000
-0.02651
5
0.02620
0.00000
0.00173
6
0.01914
0.00000
0.02651
7
-0.08864
0.00000
-0.03701
8
-0.01855
0.00000
0.03151
9
-0.08864
0.00000
0.03701
10
-0.01854
0.00000
-0.03151
11
0.03771
0.00000
-0.01971
12
-0.02437
0.00000
-0.03172
13
0.03771
0.00000
0.01971
14
-0.02438
0.00000
0.03172
15
-0.00317
0.00000
0.07533
16
0.01670
0.00000
0.00576
17
-0.00317
0.00000
-0.07533
18
0.01670
0.00000
-0.00576
19
0.05429
0.00000
0.06174
20
0.05429
0.00000
-0.06174
21
0.01217
0.00000
-0.04878
22
0.01217
0.00000
0.04877
23
-0.00143
0.00000
-0.16525
24
0.02114
0.00000
0.01796
25
-0.00143
0.00000
0.16525
26
0.02114
0.00000
-0.01796
27
-0.06596
0.00000
-0.08410
28
0.10271
0.00000
0.04022
29
-0.06596
0.00000
0.08410
30
0.10271
0.00000
-0.04023
31
0.09216
0.00000
-0.02283
32
0.09216
0.00000
0.02283
33
-0.22164
0.00000
-0.09276
34
-0.22164
0.00000
0.09277