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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.29000
Eigenvectors
#
X
Y
Z
1
-0.02538
0.00000
-0.02479
2
0.02538
0.00000
-0.02479
3
0.03664
0.00000
-0.00158
4
-0.06579
0.00000
0.04399
5
-0.03664
0.00000
-0.00158
6
0.06579
0.00000
0.04399
7
-0.02308
0.00000
0.00730
8
0.07346
0.00000
-0.05481
9
0.02308
0.00000
0.00730
10
-0.07346
0.00000
-0.05481
11
-0.00999
0.00000
-0.01671
12
-0.00790
0.00000
0.05030
13
0.00998
0.00000
-0.01671
14
0.00790
0.00000
0.05030
15
0.00791
0.00000
0.00424
16
0.00151
0.00000
-0.08724
17
-0.00791
0.00000
0.00424
18
-0.00151
0.00000
-0.08724
19
0.05586
0.00000
0.00817
20
-0.05586
0.00000
0.00817
21
0.01967
0.00000
0.05231
22
-0.01967
0.00000
0.05231
23
0.01140
0.00000
0.01561
24
-0.00487
0.00000
0.14143
25
-0.01140
0.00000
0.01562
26
0.00487
0.00000
0.14143
27
0.03431
0.00000
0.00582
28
-0.05737
0.00000
0.03021
29
-0.03431
0.00000
0.00582
30
0.05737
0.00000
0.03021
31
-0.20315
0.00000
0.08998
32
0.20315
0.00000
0.08997
33
-0.05239
0.00000
-0.05893
34
0.05239
0.00000
-0.05893