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)
-0.31100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05676
-0.05461
2
0.00000
-0.05676
0.05461
3
0.00000
-0.03274
-0.09618
4
0.00000
-0.03274
0.09618
5
0.00000
-0.00434
0.00691
6
0.00000
-0.00434
-0.00691
7
0.00000
-0.00678
-0.04882
8
0.00000
-0.00678
0.04882
9
0.00000
0.01164
0.07407
10
0.00000
0.01164
-0.07407
11
0.00000
0.01264
-0.00108
12
0.00000
0.01264
0.00108
13
0.00000
0.02058
0.01682
14
0.00000
0.02058
-0.01682
15
0.00000
0.03306
0.00558
16
0.00000
0.03306
-0.00558
17
0.00000
0.04941
0.00717
18
0.00000
0.04941
-0.00717
19
0.00000
-0.03376
0.08315
20
0.00000
-0.03376
-0.08315
21
0.00000
0.03484
-0.01556
22
0.00000
0.03484
0.01556
23
0.00000
0.07277
0.03429
24
0.00000
0.07277
-0.03429
25
0.00000
0.00370
0.02479
26
0.00000
0.00370
-0.02479
27
0.00000
-0.09718
0.13445
28
0.00000
-0.09718
-0.13445
29
0.00000
0.04545
-0.03936
30
0.00000
0.04545
0.03936
31
0.00000
0.02440
0.11444
32
0.00000
0.02440
-0.11444