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)
-0.35700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00986
-0.00120
2
0.00000
-0.00987
-0.00120
3
0.00000
0.06831
-0.00824
4
0.00000
-0.06831
-0.00824
5
0.00000
-0.04254
0.04048
6
0.00000
0.04254
0.04048
7
0.00000
0.01467
0.01702
8
0.00000
-0.01466
0.01702
9
0.00000
-0.00097
0.10897
10
0.00000
0.00098
0.10897
11
0.00000
0.09574
-0.06053
12
0.00000
-0.09575
-0.06054
13
0.00000
-0.04078
-0.04489
14
0.00000
0.04079
-0.04489
15
0.00000
0.02224
-0.02683
16
0.00000
-0.02224
-0.02683
17
0.00000
-0.01407
-0.00866
18
0.00000
0.01408
-0.00866
19
0.00000
0.00051
-0.01723
20
0.00000
-0.00051
-0.01723
21
0.00000
0.02272
0.06399
22
0.00000
-0.02271
0.06399
23
0.00000
0.10434
-0.05703
24
0.00000
-0.10436
-0.05703
25
0.00000
-0.01842
-0.05687
26
0.00000
0.01842
-0.05687
27
0.00000
0.04065
0.08751
28
0.00000
-0.04064
0.08751
29
0.00000
-0.01427
-0.01273
30
0.00000
0.01427
-0.01272
31
0.00000
0.01133
-0.01147
32
0.00000
-0.01134
-0.01147