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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04101
0.01739
0.00000
2
-0.04101
-0.01739
0.00000
3
0.00595
0.00569
0.00000
4
-0.09592
-0.02353
0.00000
5
0.09592
0.02353
0.00000
6
-0.00595
-0.00569
0.00000
7
-0.02981
-0.02310
0.00000
8
-0.08281
-0.04608
0.00000
9
0.08281
0.04608
0.00000
10
0.02981
0.02310
0.00000
11
0.01642
-0.00294
0.00000
12
-0.09292
0.00996
0.00000
13
0.09292
-0.00996
0.00000
14
-0.01642
0.00294
0.00000
15
0.04542
-0.00956
0.00000
16
-0.04542
0.00956
0.00000
17
-0.02506
-0.00631
0.00000
18
0.02506
0.00631
0.00000
19
-0.03198
-0.03163
0.00000
20
0.03198
0.03163
0.00000
21
-0.04022
-0.03517
0.00000
22
0.04022
0.03517
0.00000
23
0.02747
-0.02874
0.00000
24
-0.02747
0.02874
0.00000
25
-0.03372
-0.01701
0.00000
26
0.03372
0.01701
0.00000
27
-0.00943
-0.04075
0.00000
28
0.00943
0.04075
0.00000
29
0.10247
-0.04608
0.00000
30
-0.10247
0.04608
0.00000
31
0.07632
0.08437
0.00000
32
-0.07632
-0.08437
0.00000
33
-0.04470
-0.01873
0.00000
34
0.04470
0.01873
0.00000