Charge: 2
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+2
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)
1.39000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04863
0.05758
2
0.00000
0.04863
-0.05758
3
0.00000
-0.07565
0.02492
4
0.00000
-0.07565
-0.02491
5
0.00000
0.03588
0.00766
6
0.00000
0.03588
-0.00766
7
0.00000
-0.07088
0.02391
8
0.00000
-0.07088
-0.02391
9
0.00000
-0.00839
-0.04370
10
0.00000
-0.00838
0.04370
11
0.00000
0.02849
-0.01525
12
0.00000
0.02849
0.01525
13
0.00000
-0.04045
0.01397
14
0.00000
-0.04045
-0.01397
15
0.00000
0.02395
-0.00730
16
0.00000
0.02395
0.00730
17
0.00000
0.09603
-0.02483
18
0.00000
0.09603
0.02483
19
0.00000
-0.03226
0.02881
20
0.00000
-0.03226
-0.02881
21
0.00000
0.02610
0.08784
22
0.00000
0.02610
-0.08784
23
0.00000
-0.00193
-0.03529
24
0.00000
-0.00192
0.03529
25
0.00000
-0.10140
0.04825
26
0.00000
-0.10140
-0.04825
27
0.00000
0.04518
-0.07622
28
0.00000
0.04518
0.07623
29
0.00000
0.09857
-0.09040
30
0.00000
0.09857
0.09041
31
0.00000
-0.13017
-0.02522
32
0.00000
-0.13018
0.02522