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)
0.00000
Diff mu Z
(Debye)
-2.11600
Eigenvectors
#
X
Y
Z
1
0.00000
0.07635
0.05331
2
0.00000
-0.07635
0.05331
3
0.00000
0.01726
0.00959
4
0.00000
-0.01726
0.00959
5
0.00000
-0.01447
-0.12093
6
0.00000
0.01447
-0.12094
7
0.00000
-0.01914
-0.01620
8
0.00000
0.01914
-0.01620
9
0.00000
-0.08971
0.05884
10
0.00000
0.08972
0.05884
11
0.00000
-0.01790
-0.00175
12
0.00000
0.01790
-0.00175
13
0.00000
0.04481
-0.00737
14
0.00000
-0.04481
-0.00737
15
0.00000
-0.01913
0.01398
16
0.00000
0.01913
0.01398
17
0.00000
-0.00777
-0.01957
18
0.00000
0.00777
-0.01957
19
0.00000
0.00850
0.01535
20
0.00000
-0.00850
0.01535
21
0.00000
-0.02227
0.13754
22
0.00000
0.02227
0.13754
23
0.00000
-0.02939
-0.00590
24
0.00000
0.02939
-0.00590
25
0.00000
0.03146
-0.00150
26
0.00000
-0.03146
-0.00150
27
0.00000
0.01745
-0.00188
28
0.00000
-0.01745
-0.00188
29
0.00000
-0.00866
0.03375
30
0.00000
0.00866
0.03376
31
0.00000
0.00128
0.01350
32
0.00000
-0.00129
0.01350