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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
-0.17900
Eigenvectors
#
X
Y
Z
1
0.00000
0.07854
0.00697
2
0.00000
-0.07854
0.00697
3
0.00000
0.08581
0.03735
4
0.00000
-0.08581
0.03735
5
0.00000
0.02344
0.01466
6
0.00000
-0.02344
0.01466
7
0.00000
0.03063
-0.09428
8
0.00000
-0.03063
-0.09428
9
0.00000
0.01311
-0.00693
10
0.00000
-0.01311
-0.00693
11
0.00000
-0.03397
0.00855
12
0.00000
0.03397
0.00855
13
0.00000
-0.02277
-0.00313
14
0.00000
0.02277
-0.00313
15
0.00000
-0.00630
-0.00579
16
0.00000
0.00630
-0.00579
17
0.00000
-0.01364
0.03792
18
0.00000
0.01364
0.03792
19
0.00000
-0.01953
-0.00437
20
0.00000
0.01953
-0.00437
21
0.00000
-0.00751
-0.04382
22
0.00000
0.00751
-0.04382
23
0.00000
-0.23704
-0.11164
24
0.00000
0.23704
-0.11164
25
0.00000
-0.14815
0.06575
26
0.00000
0.14815
0.06575
27
0.00000
0.06179
-0.03433
28
0.00000
-0.06179
-0.03433
29
0.00000
-0.01603
0.18710
30
0.00000
0.01603
0.18710
31
0.00000
0.06360
0.04460
32
0.00000
-0.06360
0.04460