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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.65100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00302
0.00241
2
0.00000
0.00302
-0.00241
3
0.00000
0.05661
-0.01649
4
0.00000
0.05661
0.01649
5
0.00000
-0.11103
0.04734
6
0.00000
-0.11103
-0.04734
7
0.00000
-0.00515
-0.03011
8
0.00000
-0.00515
0.03011
9
0.00000
0.00869
0.00696
10
0.00000
0.00869
-0.00696
11
0.00000
-0.03274
-0.01380
12
0.00000
-0.03274
0.01380
13
0.00000
0.02430
0.01703
14
0.00000
0.02430
-0.01703
15
0.00000
0.02993
0.01759
16
0.00000
0.02993
-0.01759
17
0.00000
0.01098
0.02394
18
0.00000
0.01098
-0.02394
19
0.00000
-0.00769
-0.00054
20
0.00000
-0.00769
0.00054
21
0.00000
0.03224
-0.04084
22
0.00000
0.03224
0.04084
23
0.00000
-0.14267
-0.07683
24
0.00000
-0.14267
0.07683
25
0.00000
0.20606
-0.07810
26
0.00000
0.20606
0.07810
27
0.00000
0.27588
-0.15290
28
0.00000
0.27588
0.15290
29
0.00000
0.01141
0.16546
30
0.00000
0.01141
-0.16546
31
0.00000
-0.10793
-0.05913
32
0.00000
-0.10793
0.05913