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)
-0.86400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02729
0.01334
2
0.00000
0.02729
-0.01334
3
0.00000
0.03325
0.00463
4
0.00000
0.03325
-0.00463
5
0.00000
-0.01244
0.02499
6
0.00000
-0.01244
-0.02499
7
0.00000
0.03354
0.01938
8
0.00000
0.03354
-0.01938
9
0.00000
0.09643
0.05220
10
0.00000
0.09643
-0.05220
11
0.00000
0.02068
-0.04580
12
0.00000
0.02068
0.04580
13
0.00000
-0.08347
-0.00131
14
0.00000
-0.08347
0.00131
15
0.00000
-0.10047
0.00390
16
0.00000
-0.10047
-0.00390
17
0.00000
0.00920
0.02019
18
0.00000
0.00920
-0.02019
19
0.00000
-0.02502
0.03469
20
0.00000
-0.02502
-0.03469
21
0.00000
-0.10221
0.08119
22
0.00000
-0.10221
-0.08119
23
0.00000
0.06377
-0.01980
24
0.00000
0.06377
0.01980
25
0.00000
-0.05467
-0.01734
26
0.00000
-0.05467
0.01734
27
0.00000
0.10304
0.04963
28
0.00000
0.10304
-0.04963
29
0.00000
0.00853
-0.01574
30
0.00000
0.00853
0.01574
31
0.00000
-0.00641
0.04592
32
0.00000
-0.00641
-0.04592