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)
0.35700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00015
0.00025
2
0.00000
-0.00015
-0.00025
3
0.00000
-0.00071
0.00025
4
0.00000
-0.00071
-0.00025
5
0.00000
0.00051
-0.00008
6
0.00000
0.00051
0.00008
7
0.00000
0.00069
-0.00079
8
0.00000
0.00069
0.00079
9
0.00000
-0.00032
-0.00060
10
0.00000
-0.00032
0.00061
11
0.00000
0.01897
-0.02822
12
0.00000
0.01897
0.02822
13
0.00000
-0.00385
-0.01056
14
0.00000
-0.00385
0.01056
15
0.00000
-0.03989
0.00169
16
0.00000
-0.03990
-0.00169
17
0.00000
-0.02147
-0.00021
18
0.00000
-0.02147
0.00021
19
0.00000
-0.00554
0.01275
20
0.00000
-0.00554
-0.01275
21
0.00000
0.45232
0.00003
22
0.00000
0.45235
-0.00003
23
0.00000
-0.20791
0.33425
24
0.00000
-0.20793
-0.33427
25
0.00000
0.05588
0.10462
26
0.00000
0.05588
-0.10463
27
0.00000
0.00338
0.00658
28
0.00000
0.00338
-0.00659
29
0.00000
0.23877
-0.00622
30
0.00000
0.23880
0.00622
31
0.00000
0.07381
-0.13360
32
0.00000
0.07380
0.13359