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)
0.32200
Diff mu Y
(Debye)
0.33100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05829
0.00443
0.00000
2
-0.05829
0.00443
0.00000
3
-0.02868
-0.00019
0.00000
4
-0.06024
0.00304
0.00000
5
-0.06024
0.00304
0.00000
6
-0.02868
-0.00019
0.00000
7
-0.02423
-0.02577
0.00000
8
-0.04446
-0.02021
0.00000
9
-0.04446
-0.02021
0.00000
10
-0.02423
-0.02577
0.00000
11
0.01268
0.02970
0.00000
12
-0.02721
0.04287
0.00000
13
-0.02721
0.04287
0.00000
14
0.01268
0.02970
0.00000
15
0.00490
0.04006
0.00000
16
0.00490
0.04006
0.00000
17
0.07593
0.01459
0.00000
18
0.07593
0.01459
0.00000
19
0.08787
-0.02804
0.00000
20
0.08787
-0.02804
0.00000
21
0.04309
-0.05807
0.00000
22
0.04309
-0.05807
0.00000
23
0.01446
0.04816
0.00000
24
0.01446
0.04816
0.00000
25
0.11112
0.04401
0.00000
26
0.11112
0.04401
0.00000
27
0.11814
-0.03911
0.00000
28
0.11814
-0.03911
0.00000
29
-0.03469
0.08207
0.00000
30
-0.03469
0.08207
0.00000
31
-0.04199
-0.04064
0.00000
32
-0.04199
-0.04064
0.00000
33
0.05472
-0.12302
0.00000
34
0.05472
-0.12302
0.00000