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)
0.03800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.00100
Eigenvectors
#
X
Y
Z
1
0.00012
0.00000
-0.00022
2
0.00013
0.00000
0.00023
3
-0.00008
0.00000
0.00002
4
-0.00001
0.00000
0.00009
5
-0.00007
0.00000
-0.00002
6
0.00000
0.00000
-0.00009
7
-0.00052
0.00000
0.00008
8
-0.00036
0.00000
-0.00107
9
-0.00054
0.00000
-0.00008
10
-0.00036
0.00000
0.00105
11
0.01149
0.00000
-0.01645
12
-0.00408
0.00000
0.00465
13
0.01185
0.00000
0.01696
14
-0.00395
0.00000
-0.00451
15
-0.04538
0.00000
0.00103
16
0.03027
0.00000
0.00024
17
-0.04681
0.00000
-0.00106
18
0.02933
0.00000
-0.00024
19
-0.00208
0.00000
0.00364
20
-0.00211
0.00000
-0.00368
21
0.00016
0.00000
-0.00226
22
0.00016
0.00000
0.00233
23
0.51683
0.00000
-0.00453
24
-0.34253
0.00000
-0.00638
25
0.53312
0.00000
0.00467
26
-0.33183
0.00000
0.00618
27
-0.12013
0.00000
0.20211
28
0.03972
0.00000
-0.06407
29
-0.12385
0.00000
-0.20836
30
0.03851
0.00000
0.06211
31
0.00556
0.00000
0.01057
32
0.00548
0.00000
-0.01042
33
0.02541
0.00000
-0.04197
34
0.02567
0.00000
0.04237