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)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
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)
0.67100
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01339
-0.02767
2
0.00000
0.01339
-0.02768
3
0.00000
-0.00267
0.02261
4
0.00000
0.00267
0.02261
5
0.00000
0.01355
0.02838
6
0.00000
-0.01355
0.02838
7
0.00000
-0.08469
-0.02764
8
0.00000
0.08469
-0.02763
9
0.00000
0.05049
-0.00946
10
0.00000
-0.05049
-0.00946
11
0.00000
0.01918
-0.01568
12
0.00000
-0.01918
-0.01568
13
0.00000
0.00079
-0.03457
14
0.00000
-0.00079
-0.03457
15
0.00000
-0.01073
0.06247
16
0.00000
0.01073
0.06247
17
0.00000
0.01923
0.08802
18
0.00000
-0.01923
0.08802
19
0.00000
0.00800
-0.03450
20
0.00000
-0.00800
-0.03450
21
0.00000
-0.01183
-0.17757
22
0.00000
0.01183
-0.17757
23
0.00000
-0.01025
-0.03626
24
0.00000
0.01025
-0.03625
25
0.00000
-0.03350
-0.02060
26
0.00000
0.03350
-0.02060
27
0.00000
-0.01545
0.03508
28
0.00000
0.01545
0.03508
29
0.00000
0.01556
-0.33742
30
0.00000
-0.01556
-0.33742
31
0.00000
-0.05592
-0.08190
32
0.00000
0.05592
-0.08190