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)
0.67200
Eigenvectors
#
X
Y
Z
1
-0.00067
0.00000
-0.03394
2
0.00067
0.00000
-0.03394
3
-0.01523
0.00000
-0.00590
4
-0.00888
0.00000
-0.03954
5
0.01523
0.00000
-0.00590
6
0.00888
0.00000
-0.03954
7
-0.03943
0.00000
0.03501
8
-0.00589
0.00000
0.03654
9
0.03942
0.00000
0.03501
10
0.00588
0.00000
0.03654
11
0.00680
0.00000
-0.07199
12
-0.00511
0.00000
-0.04577
13
-0.00680
0.00000
-0.07198
14
0.00511
0.00000
-0.04577
15
0.02473
0.00000
0.04023
16
0.00074
0.00000
0.03365
17
-0.02472
0.00000
0.04023
18
-0.00074
0.00000
0.03365
19
0.00524
0.00000
-0.01168
20
-0.00523
0.00000
-0.01168
21
-0.01467
0.00000
0.03673
22
0.01467
0.00000
0.03672
23
0.03122
0.00000
0.31224
24
0.00026
0.00000
0.16307
25
-0.03121
0.00000
0.31220
26
-0.00026
0.00000
0.16308
27
-0.17707
0.00000
-0.18735
28
-0.12448
0.00000
-0.12093
29
0.17703
0.00000
-0.18732
30
0.12448
0.00000
-0.12093
31
-0.07365
0.00000
0.07481
32
0.07365
0.00000
0.07482
33
0.15431
0.00000
0.07548
34
-0.15430
0.00000
0.07548