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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.41700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00904
0.02654
2
0.00000
0.00904
-0.02654
3
0.00000
-0.02421
-0.01616
4
0.00000
-0.02421
0.01616
5
0.00000
-0.02128
-0.01305
6
0.00000
-0.02128
0.01305
7
0.00000
0.00729
-0.04765
8
0.00000
0.00729
0.04765
9
0.00000
0.00440
-0.00029
10
0.00000
0.00440
0.00029
11
0.00000
0.03448
0.02307
12
0.00000
0.03448
-0.02307
13
0.00000
0.01764
0.00156
14
0.00000
0.01764
-0.00156
15
0.00000
-0.01530
-0.01991
16
0.00000
-0.01530
0.01991
17
0.00000
0.03113
0.12300
18
0.00000
0.03113
-0.12300
19
0.00000
-0.05319
-0.09949
20
0.00000
-0.05319
0.09949
21
0.00000
-0.01675
0.01962
22
0.00000
-0.01675
-0.01962
23
0.00000
-0.04817
-0.02900
24
0.00000
-0.04817
0.02900
25
0.00000
-0.01898
0.02245
26
0.00000
-0.01898
-0.02245
27
0.00000
-0.01782
0.01099
28
0.00000
-0.01782
-0.01099
29
0.00000
0.03538
-0.15724
30
0.00000
0.03538
0.15724
31
0.00000
0.18551
0.02993
32
0.00000
0.18551
-0.02993