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)
1.44800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00260
0.02258
2
0.00000
-0.00260
-0.02258
3
0.00000
-0.05809
-0.01416
4
0.00000
-0.05808
0.01416
5
0.00000
0.05438
0.01084
6
0.00000
0.05438
-0.01084
7
0.00000
0.02910
-0.01742
8
0.00000
0.02910
0.01742
9
0.00000
-0.01061
-0.02245
10
0.00000
-0.01061
0.02245
11
0.00000
0.02050
0.01409
12
0.00000
0.02050
-0.01409
13
0.00000
-0.01423
-0.01858
14
0.00000
-0.01423
0.01858
15
0.00000
-0.00944
0.00731
16
0.00000
-0.00944
-0.00731
17
0.00000
-0.05842
-0.05156
18
0.00000
-0.05842
0.05156
19
0.00000
0.02420
0.03269
20
0.00000
0.02420
-0.03269
21
0.00000
-0.01174
0.21405
22
0.00000
-0.01174
-0.21405
23
0.00000
-0.00573
-0.00557
24
0.00000
-0.00573
0.00558
25
0.00000
0.09345
-0.08024
26
0.00000
0.09345
0.08024
27
0.00000
-0.02992
-0.01240
28
0.00000
-0.02992
0.01240
29
0.00000
-0.06722
-0.26486
30
0.00000
-0.06722
0.26487
31
0.00000
0.32138
0.20492
32
0.00000
0.32138
-0.20492