Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
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)
-0.33400
Eigenvectors
#
X
Y
Z
1
0.03468
0.00000
-0.07663
2
-0.03468
0.00000
-0.07663
3
0.01522
0.00000
0.00717
4
-0.01972
0.00000
0.06887
5
-0.01522
0.00000
0.00717
6
0.01972
0.00000
0.06886
7
-0.03080
0.00000
0.04317
8
0.04679
0.00000
-0.02264
9
0.03080
0.00000
0.04317
10
-0.04679
0.00000
-0.02264
11
0.01875
0.00000
-0.02164
12
-0.02986
0.00000
-0.04748
13
-0.01875
0.00000
-0.02164
14
0.02986
0.00000
-0.04748
15
0.01712
0.00000
0.00331
16
0.00154
0.00000
0.06930
17
-0.01712
0.00000
0.00331
18
-0.00154
0.00000
0.06930
19
-0.04021
0.00000
-0.01454
20
0.04021
0.00000
-0.01454
21
-0.05747
0.00000
0.02316
22
0.05747
0.00000
0.02316
23
0.02096
0.00000
-0.23614
24
0.00938
0.00000
-0.15636
25
-0.02096
0.00000
-0.23614
26
-0.00938
0.00000
-0.15636
27
0.14565
0.00000
0.04531
28
-0.00861
0.00000
-0.03836
29
-0.14565
0.00000
0.04531
30
0.00861
0.00000
-0.03836
31
-0.00971
0.00000
0.00585
32
0.00971
0.00000
0.00585
33
-0.02380
0.00000
-0.00187
34
0.02380
0.00000
-0.00187