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)
0.69800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02200
-0.05852
2
0.00000
0.02200
-0.05852
3
0.00000
-0.01704
0.02467
4
0.00000
0.01703
0.02468
5
0.00000
-0.04949
0.02468
6
0.00000
0.04949
0.02468
7
0.00000
-0.02969
0.02247
8
0.00000
0.02969
0.02246
9
0.00000
-0.02161
-0.01216
10
0.00000
0.02161
-0.01216
11
0.00000
0.00069
-0.01373
12
0.00000
-0.00069
-0.01373
13
0.00000
0.02511
0.00750
14
0.00000
-0.02511
0.00750
15
0.00000
0.00603
0.02057
16
0.00000
-0.00603
0.02057
17
0.00000
0.01989
0.00667
18
0.00000
-0.01989
0.00666
19
0.00000
-0.00130
-0.01734
20
0.00000
0.00130
-0.01734
21
0.00000
0.00676
0.31031
22
0.00000
-0.00676
0.31030
23
0.00000
-0.16930
-0.11895
24
0.00000
0.16929
-0.11895
25
0.00000
0.36321
-0.17446
26
0.00000
-0.36321
-0.17446
27
0.00000
-0.02294
-0.01670
28
0.00000
0.02293
-0.01671
29
0.00000
0.02264
0.06370
30
0.00000
-0.02264
0.06369
31
0.00000
-0.17986
-0.12113
32
0.00000
0.17985
-0.12112