Charge: 0
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
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.00100
Diff mu Z
(Debye)
0.02000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01152
-0.05385
2
0.00000
-0.01148
-0.05393
3
0.00000
0.06584
-0.00722
4
0.00000
-0.06590
-0.00732
5
0.00000
0.00630
-0.06367
6
0.00000
-0.00618
-0.06378
7
0.00000
0.01325
0.02954
8
0.00000
-0.01342
0.02945
9
0.00000
-0.00484
-0.08068
10
0.00000
0.00493
-0.08075
11
0.00000
0.08928
0.02613
12
0.00000
-0.08935
0.02605
13
0.00000
0.00599
0.00472
14
0.00000
-0.00585
0.00462
15
0.00000
0.06905
0.04356
16
0.00000
-0.06903
0.04349
17
0.00000
0.00452
0.04008
18
0.00000
-0.00465
0.03989
19
0.00000
-0.00172
0.04767
20
0.00000
0.00171
0.04755
21
0.00000
0.06938
0.08464
22
0.00000
-0.06935
0.08470
23
0.00000
0.10682
0.03559
24
0.00000
-0.10690
0.03551
25
0.00000
-0.05398
0.03781
26
0.00000
0.05415
0.03772
27
0.00000
-0.01279
-0.07721
28
0.00000
0.01281
-0.07733
29
0.00000
0.00469
0.04367
30
0.00000
-0.00482
0.04341
31
0.00000
-0.00717
0.04511
32
0.00000
0.00731
0.04491