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)
0.00000
Diff mu Z
(Debye)
-1.61700
Eigenvectors
#
X
Y
Z
1
0.00000
0.02689
-0.02140
2
0.00000
-0.02689
-0.02140
3
0.00000
0.00596
0.05354
4
0.00000
-0.00596
0.05355
5
0.00000
0.00472
-0.00195
6
0.00000
-0.00472
-0.00195
7
0.00000
0.03162
-0.03531
8
0.00000
-0.03162
-0.03531
9
0.00000
0.01593
-0.00074
10
0.00000
-0.01593
-0.00074
11
0.00000
-0.05681
-0.04755
12
0.00000
0.05681
-0.04755
13
0.00000
-0.03275
0.01216
14
0.00000
0.03275
0.01216
15
0.00000
0.03706
0.02321
16
0.00000
-0.03706
0.02321
17
0.00000
-0.05228
-0.00078
18
0.00000
0.05228
-0.00078
19
0.00000
0.10664
0.03582
20
0.00000
-0.10664
0.03582
21
0.00000
0.04455
-0.02700
22
0.00000
-0.04455
-0.02700
23
0.00000
0.20914
0.11234
24
0.00000
-0.20915
0.11234
25
0.00000
0.09949
-0.06034
26
0.00000
-0.09949
-0.06034
27
0.00000
-0.02310
0.02289
28
0.00000
0.02310
0.02289
29
0.00000
-0.06148
-0.13883
30
0.00000
0.06148
-0.13883
31
0.00000
-0.14947
-0.11158
32
0.00000
0.14948
-0.11158