Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.60500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.04213
0.03245
2
0.00000
-0.04213
-0.03244
3
0.00000
-0.01540
0.00909
4
0.00000
-0.01540
-0.00909
5
0.00000
-0.02089
0.04192
6
0.00000
-0.02089
-0.04192
7
0.00000
-0.05815
-0.00331
8
0.00000
-0.05815
0.00331
9
0.00000
0.05798
0.09015
10
0.00000
0.05798
-0.09015
11
0.00000
0.06511
0.00276
12
0.00000
0.06511
-0.00276
13
0.00000
-0.04639
-0.02916
14
0.00000
-0.04639
0.02916
15
0.00000
0.04583
0.00556
16
0.00000
0.04583
-0.00556
17
0.00000
-0.02762
-0.03823
18
0.00000
-0.02761
0.03823
19
0.00000
0.04020
-0.06638
20
0.00000
0.04020
0.06638
21
0.00000
0.04705
0.09496
22
0.00000
0.04705
-0.09496
23
0.00000
0.06025
-0.00308
24
0.00000
0.06025
0.00307
25
0.00000
-0.06253
-0.01997
26
0.00000
-0.06253
0.01996
27
0.00000
0.00006
0.12570
28
0.00000
0.00006
-0.12570
29
0.00000
-0.02483
0.03887
30
0.00000
-0.02483
-0.03887
31
0.00000
-0.00269
-0.09141
32
0.00000
-0.00269
0.09141