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)
0.00000
Diff mu Z
(Debye)
-0.71600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03133
0.03720
2
0.00000
0.03133
0.03720
3
0.00000
-0.02318
0.07469
4
0.00000
0.02318
0.07469
5
0.00000
-0.03981
-0.02696
6
0.00000
0.03981
-0.02696
7
0.00000
0.03098
0.01435
8
0.00000
-0.03098
0.01435
9
0.00000
-0.00379
-0.00267
10
0.00000
0.00379
-0.00267
11
0.00000
-0.02103
0.06702
12
0.00000
0.02103
0.06702
13
0.00000
-0.04854
-0.08898
14
0.00000
0.04854
-0.08898
15
0.00000
0.08089
-0.00573
16
0.00000
-0.08089
-0.00573
17
0.00000
0.04536
-0.02969
18
0.00000
-0.04536
-0.02970
19
0.00000
0.01031
-0.02686
20
0.00000
-0.01031
-0.02686
21
0.00000
0.08155
0.02437
22
0.00000
-0.08155
0.02437
23
0.00000
-0.12361
0.00536
24
0.00000
0.12362
0.00535
25
0.00000
-0.12192
-0.05182
26
0.00000
0.12192
-0.05182
27
0.00000
0.02148
-0.01819
28
0.00000
-0.02148
-0.01819
29
0.00000
0.04762
-0.06563
30
0.00000
-0.04762
-0.06563
31
0.00000
-0.01026
-0.04107
32
0.00000
0.01026
-0.04107