Charge: -1
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-1
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)
0.04100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00028
-0.00010
2
0.00000
0.00028
0.00010
3
0.00000
0.00023
0.00011
4
0.00000
0.00023
-0.00011
5
0.00000
0.00190
-0.00104
6
0.00000
0.00190
0.00104
7
0.00000
-0.00002
-0.00020
8
0.00000
-0.00002
0.00020
9
0.00000
0.01668
0.03199
10
0.00000
0.01668
-0.03199
11
0.00000
-0.00102
0.00080
12
0.00000
-0.00102
-0.00080
13
0.00000
-0.02175
-0.04035
14
0.00000
-0.02175
0.04035
15
0.00000
0.00946
0.00206
16
0.00000
0.00945
-0.00206
17
0.00000
0.00035
0.00021
18
0.00000
0.00035
-0.00021
19
0.00000
-0.00008
-0.00010
20
0.00000
-0.00008
0.00010
21
0.00000
-0.11808
-0.00187
22
0.00000
-0.11806
0.00187
23
0.00000
0.00659
-0.01041
24
0.00000
0.00659
0.01041
25
0.00000
0.24873
0.45511
26
0.00000
0.24870
-0.45505
27
0.00000
-0.20510
-0.35955
28
0.00000
-0.20510
0.35954
29
0.00000
-0.00386
0.00015
30
0.00000
-0.00386
-0.00015
31
0.00000
-0.00002
0.00008
32
0.00000
-0.00002
-0.00008