Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02517
0.02243
0.00000
2
0.02516
-0.02243
0.00000
3
-0.00251
-0.02773
0.00000
4
-0.00632
-0.03663
0.00000
5
0.00633
0.03663
0.00000
6
0.00251
0.02773
0.00000
7
-0.00592
0.01550
0.00000
8
0.01527
-0.02173
0.00000
9
-0.01528
0.02173
0.00000
10
0.00592
-0.01550
0.00000
11
0.02972
0.03218
0.00000
12
-0.03641
0.06862
0.00000
13
0.03641
-0.06862
0.00000
14
-0.02972
-0.03218
0.00000
15
-0.06668
-0.01883
0.00000
16
0.06668
0.01883
0.00000
17
0.02678
0.01217
0.00000
18
-0.02677
-0.01217
0.00000
19
-0.01833
-0.03460
0.00000
20
0.01833
0.03460
0.00000
21
-0.00910
0.04957
0.00000
22
0.00910
-0.04957
0.00000
23
0.19203
0.21290
0.00000
24
-0.19203
-0.21291
0.00000
25
-0.07841
-0.08363
0.00000
26
0.07841
0.08363
0.00000
27
0.03139
-0.05677
0.00000
28
-0.03138
0.05677
0.00000
29
-0.04043
0.30614
0.00000
30
0.04042
-0.30614
0.00000
31
0.00989
-0.10592
0.00000
32
-0.00990
0.10592
0.00000
33
0.03403
-0.16487
0.00000
34
-0.03402
0.16486
0.00000