Charge: 2
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+2
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)
-1.37300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00004
2
0.00000
0.00000
-0.00004
3
0.00023
0.00000
-0.00042
4
-0.00001
0.00000
-0.00004
5
-0.00023
0.00000
-0.00042
6
0.00001
0.00000
-0.00004
7
-0.00019
0.00000
-0.00076
8
-0.00185
0.00000
-0.00496
9
0.00019
0.00000
-0.00076
10
0.00185
0.00000
-0.00496
11
-0.01330
0.00000
0.02748
12
-0.00854
0.00000
0.01572
13
0.01330
0.00000
0.02749
14
0.00854
0.00000
0.01572
15
-0.02649
0.00000
-0.00178
16
-0.01120
0.00000
-0.00073
17
0.02650
0.00000
-0.00178
18
0.01120
0.00000
-0.00073
19
-0.02134
0.00000
0.03283
20
0.02134
0.00000
0.03283
21
0.00004
0.00000
-0.00165
22
-0.00004
0.00000
-0.00165
23
0.29470
0.00000
0.00223
24
0.12320
0.00000
0.00368
25
-0.29481
0.00000
0.00223
26
-0.12323
0.00000
0.00368
27
0.16483
0.00000
-0.29595
28
0.10144
0.00000
-0.17374
29
-0.16489
0.00000
-0.29604
30
-0.10144
0.00000
-0.17375
31
0.03049
0.00000
0.05930
32
-0.03049
0.00000
0.05931
33
0.22044
0.00000
-0.37720
34
-0.22045
0.00000
-0.37721