Charge: 1
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+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
0.04770
0.02324
0.00000
2
-0.04770
-0.02324
0.00000
3
0.01377
0.01470
0.00000
4
-0.10359
-0.02971
0.00000
5
0.10359
0.02971
0.00000
6
-0.01377
-0.01470
0.00000
7
-0.01341
-0.01748
0.00000
8
-0.08303
-0.05702
0.00000
9
0.08303
0.05702
0.00000
10
0.01341
0.01748
0.00000
11
0.00304
-0.00376
0.00000
12
-0.08520
0.01914
0.00000
13
0.08520
-0.01914
0.00000
14
-0.00304
0.00376
0.00000
15
0.02567
-0.01318
0.00000
16
-0.02567
0.01318
0.00000
17
-0.02896
-0.01058
0.00000
18
0.02896
0.01058
0.00000
19
-0.03248
-0.03432
0.00000
20
0.03248
0.03432
0.00000
21
-0.02364
-0.02688
0.00000
22
0.02364
0.02688
0.00000
23
0.00462
-0.03368
0.00000
24
-0.00462
0.03368
0.00000
25
-0.02960
-0.01342
0.00000
26
0.02960
0.01342
0.00000
27
-0.02066
-0.04024
0.00000
28
0.02066
0.04024
0.00000
29
0.09711
-0.07094
0.00000
30
-0.09711
0.07094
0.00000
31
0.07386
0.11698
0.00000
32
-0.07386
-0.11698
0.00000
33
-0.02903
-0.00494
0.00000
34
0.02903
0.00494
0.00000