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)
-0.26300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00036
-0.00044
2
0.00000
-0.00036
0.00044
3
0.00000
-0.00010
-0.00017
4
0.00000
-0.00010
0.00017
5
0.00000
-0.00020
-0.00128
6
0.00000
-0.00020
0.00128
7
0.00000
0.00000
0.00020
8
0.00000
0.00000
-0.00020
9
0.00000
0.02162
0.04121
10
0.00000
0.02162
-0.04121
11
0.00000
0.00105
-0.00087
12
0.00000
0.00105
0.00087
13
0.00000
0.01666
0.03123
14
0.00000
0.01666
-0.03123
15
0.00000
-0.00826
-0.00175
16
0.00000
-0.00826
0.00175
17
0.00000
-0.00049
-0.00019
18
0.00000
-0.00049
0.00019
19
0.00000
0.00014
-0.00001
20
0.00000
0.00014
0.00001
21
0.00000
0.10029
0.00168
22
0.00000
0.10029
-0.00168
23
0.00000
-0.00758
0.01191
24
0.00000
-0.00758
-0.01190
25
0.00000
-0.19419
-0.35091
26
0.00000
-0.19419
0.35091
27
0.00000
-0.26131
-0.46378
28
0.00000
-0.26131
0.46378
29
0.00000
0.00558
-0.00020
30
0.00000
0.00558
0.00020
31
0.00000
-0.00069
0.00119
32
0.00000
-0.00069
-0.00119