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)
0.00000
Diff mu Z
(Debye)
1.57100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01075
-0.07483
2
0.00000
0.01075
-0.07483
3
0.00000
-0.04012
-0.07021
4
0.00000
0.04012
-0.07021
5
0.00000
-0.01586
-0.01344
6
0.00000
0.01586
-0.01344
7
0.00000
-0.04096
-0.04545
8
0.00000
0.04096
-0.04545
9
0.00000
0.01833
0.07871
10
0.00000
-0.01833
0.07871
11
0.00000
-0.04108
0.04866
12
0.00000
0.04108
0.04866
13
0.00000
0.02904
-0.00598
14
0.00000
-0.02904
-0.00598
15
0.00000
0.06893
0.00819
16
0.00000
-0.06893
0.00819
17
0.00000
-0.06132
0.02775
18
0.00000
0.06132
0.02775
19
0.00000
-0.01783
0.03167
20
0.00000
0.01783
0.03167
21
0.00000
0.07143
-0.07061
22
0.00000
-0.07143
-0.07061
23
0.00000
-0.03771
0.04632
24
0.00000
0.03771
0.04632
25
0.00000
-0.01806
0.01875
26
0.00000
0.01806
0.01875
27
0.00000
0.07819
0.04421
28
0.00000
-0.07819
0.04421
29
0.00000
-0.06456
0.08462
30
0.00000
0.06456
0.08462
31
0.00000
0.01465
0.05459
32
0.00000
-0.01465
0.05459