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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
-0.39900
Diff mu Y
(Debye)
-0.46100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03488
0.01648
0.00000
2
-0.03488
0.01648
0.00000
3
-0.01176
-0.06341
0.00000
4
0.08978
0.05083
0.00000
5
0.08978
0.05083
0.00000
6
-0.01176
-0.06341
0.00000
7
0.05358
0.00855
0.00000
8
-0.04089
-0.05388
0.00000
9
-0.04089
-0.05388
0.00000
10
0.05358
0.00855
0.00000
11
-0.03707
0.04573
0.00000
12
-0.03490
-0.01300
0.00000
13
-0.03490
-0.01300
0.00000
14
-0.03707
0.04573
0.00000
15
0.03350
0.00694
0.00000
16
0.03350
0.00694
0.00000
17
0.03551
-0.01047
0.00000
18
0.03551
-0.01047
0.00000
19
-0.05143
-0.00135
0.00000
20
-0.05143
-0.00135
0.00000
21
-0.00198
0.02703
0.00000
22
-0.00198
0.02703
0.00000
23
-0.02727
-0.03982
0.00000
24
-0.02727
-0.03982
0.00000
25
-0.02761
-0.07000
0.00000
26
-0.02761
-0.07000
0.00000
27
0.14593
-0.06993
0.00000
28
0.14593
-0.06993
0.00000
29
-0.05100
0.08021
0.00000
30
-0.05100
0.08021
0.00000
31
-0.07277
0.09712
0.00000
32
-0.07277
0.09712
0.00000
33
0.03915
-0.15769
0.00000
34
0.03915
-0.15769
0.00000